5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-methoxyethyl)-N-methylpyrazole-4-carboxamide

C24H27N5O2 — CID 42422420

IUPAC5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-methoxyethyl)-N-methylpyrazole-4-carboxamide
SMILESCOCCN(C)C(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1
InChIInChI=1S/C24H27N5O2/c1-28(12-13-31-2)23(30)20-15-26-29(22(20)17-10-11-17)24-25-14-18-8-5-7-16-6-3-4-9-19(16)21(18)27-24/h3-4,6,9,14-15,17H,5,7-8,10-13H2,1-2H3
InChIKeyFFLRFZWHCYPRDS-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.41
Rot. Bonds6

About 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-methoxyethyl)-N-methylpyrazole-4-carboxamide

5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-methoxyethyl)-N-methylpyrazole-4-carboxamide (PubChem CID 42422420) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-methoxyethyl)-N-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-methoxyethyl)-N-methylpyrazole-4-carboxamide
PubChem CID42422420
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-methoxyethyl)-N-methylpyrazole-4-carboxamide
SMILESCOCCN(C)C(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1
InChIInChI=1S/C24H27N5O2/c1-28(12-13-31-2)23(30)20-15-26-29(22(20)17-10-11-17)24-25-14-18-8-5-7-16-6-3-4-9-19(16)21(18)27-24/h3-4,6,9,14-15,17H,5,7-8,10-13H2,1-2H3
InChIKeyFFLRFZWHCYPRDS-UHFFFAOYSA-N
XLogP3.41
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-methoxyethyl)-N-methylpyrazole-4-carboxamide with MolForge

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Related Compounds

6-(2,5-Dimethylbenzyl)-5,7-dimethyl-3-(morpholin-4-ylcarbonyl)pyrazolo[1,5-a]pyrimidine
CID 3236274
5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[2-(4-morpholinyl)ethyl]-1H-pyrazole-4-carboxamide
CID 29170802
1-(oxan-4-yl)-6-[(2-pyrimidin-5-ylphenyl)methyl]-5H-pyrazolo[4,5-c]pyridin-4-one
CID 136057603
1-[4-(2-fluorophenyl)-2-pyrimidinyl]-5-methyl-N-{[1-(4-morpholinyl)cyclopentyl]methyl}-1H-pyrazole-4-carboxamide
CID 28854259
2-{4-[(5-cyclopropyl-1-{4-[2-(trifluoromethyl)phenyl]-2-pyrimidinyl}-1H-pyrazol-4-yl)carbonyl]-1-piperazinyl}ethanol
CID 29255849
5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-carboxamide
CID 29259188
5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-ethyl-N-(2-hydroxyethyl)pyrazole-4-carboxamide
CID 42376856
[1-(3,5-Diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42422011
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-propan-2-ylpyrazole-4-carboxamide
CID 45165880
1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(1-morpholin-4-ylcycloheptyl)methyl]pyrazole-4-carboxamide
CID 29151213
methyl (2S)-1-[5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)pyrazole-4-carbonyl]pyrrolidine-2-carboxylate
CID 42417532
rac-3-(4-isopropylphenyl)-N-(1-methoxypropan-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 44580007

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-methoxyethyl)-N-methylpyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-methoxyethyl)-N-methylpyrazole-4-carboxamide (CID 42422420) is 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-methoxyethyl)-N-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-methoxyethyl)-N-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-methoxyethyl)-N-methylpyrazole-4-carboxamide is COCCN(C)C(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-methoxyethyl)-N-methylpyrazole-4-carboxamide?
The InChIKey is FFLRFZWHCYPRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-28(12-13-31-2)23(30)20-15-26-29(22(20)17-10-11-17)24-25-14-18-8-5-7-16-6-3-4-9-19(16)21(18)27-24/h3-4,6,9,14-15,17H,5,7-8,10-13H2,1-2H3.
What are the key properties of 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-methoxyethyl)-N-methylpyrazole-4-carboxamide?
5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-methoxyethyl)-N-methylpyrazole-4-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-methoxyethyl)-N-methylpyrazole-4-carboxamide is sourced from PubChem (CID 42422420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).