5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide

C25H28N6O — CID 118758281

IUPAC5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
SMILESO=C(NCCN1CCCC1)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1
InChIInChI=1S/C25H28N6O/c32-24(26-11-14-30-12-3-4-13-30)21-16-28-31(23(21)18-8-9-18)25-27-15-19-10-7-17-5-1-2-6-20(17)22(19)29-25/h1-2,5-6,15-16,18H,3-4,7-14H2,(H,26,32)
InChIKeyNVIQNPCSEPSDEQ-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.13
Rot. Bonds6

About 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide

5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide (PubChem CID 118758281) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
PubChem CID118758281
Molecular FormulaC25H28N6O
Molecular Weight428.54 g/mol
Exact Mass428.23
IUPAC Name5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
SMILESO=C(NCCN1CCCC1)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1
InChIInChI=1S/C25H28N6O/c32-24(26-11-14-30-12-3-4-13-30)21-16-28-31(23(21)18-8-9-18)25-27-15-19-10-7-17-5-1-2-6-20(17)22(19)29-25/h1-2,5-6,15-16,18H,3-4,7-14H2,(H,26,32)
InChIKeyNVIQNPCSEPSDEQ-UHFFFAOYSA-N
XLogP3.13
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide
CID 45242343
5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide
CID 42421389
5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 26275723
5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-pyridin-3-yloxyethyl)pyrazole-4-carboxamide
CID 25294518
5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(2S)-2-hydroxybutyl]pyrazole-4-carboxamide
CID 26341130
1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 118756047
5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide
CID 42362928
[5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)pyrazol-4-yl]-piperidin-1-ylmethanone
CID 42441952
5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-carboxamide
CID 42405339
5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide
CID 29001420
5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 118758369
5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyrazole-4-carboxamide
CID 45179791

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide (CID 118758281) is 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide is O=C(NCCN1CCCC1)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?
The InChIKey is NVIQNPCSEPSDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O/c32-24(26-11-14-30-12-3-4-13-30)21-16-28-31(23(21)18-8-9-18)25-27-15-19-10-7-17-5-1-2-6-20(17)22(19)29-25/h1-2,5-6,15-16,18H,3-4,7-14H2,(H,26,32).
What are the key properties of 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?
5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 118758281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).