1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide

C24H29FN6O3 — CID 26361722

IUPAC1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide
SMILESCOCc1c(C(=O)NCC(C)(C)N2CCOCC2)cnn1-c1nccc(-c2ccccc2F)n1
InChIInChI=1S/C24H29FN6O3/c1-24(2,30-10-12-34-13-11-30)16-27-22(32)18-14-28-31(21(18)15-33-3)23-26-9-8-20(29-23)17-6-4-5-7-19(17)25/h4-9,14H,10-13,15-16H2,1-3H3,(H,27,32)
InChIKeyPAJAGWYMCXQRSL-UHFFFAOYSA-N
MW468.53 g/mol
LogP2.46
Rot. Bonds8

About 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide

1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide (PubChem CID 26361722) has the molecular formula C24H29FN6O3 and a molecular weight of 468.53 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide
PubChem CID26361722
Molecular FormulaC24H29FN6O3
Molecular Weight468.53 g/mol
Exact Mass468.23
IUPAC Name1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide
SMILESCOCc1c(C(=O)NCC(C)(C)N2CCOCC2)cnn1-c1nccc(-c2ccccc2F)n1
InChIInChI=1S/C24H29FN6O3/c1-24(2,30-10-12-34-13-11-30)16-27-22(32)18-14-28-31(21(18)15-33-3)23-26-9-8-20(29-23)17-6-4-5-7-19(17)25/h4-9,14H,10-13,15-16H2,1-3H3,(H,27,32)
InChIKeyPAJAGWYMCXQRSL-UHFFFAOYSA-N
XLogP2.46
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 3-[[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carbonyl]amino]propanoate
CID 26337146
N-(furan-2-ylmethyl)-5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide
CID 26340828
1-[4-(furan-2-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 42433017
1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-carboxamide
CID 26332215
[1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 30852659
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-N-(2-methoxyethyl)-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide
CID 42247667
1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-[(2R)-2-hydroxybutyl]-5-(methoxymethyl)pyrazole-4-carboxamide
CID 26360779
1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-pyridin-4-ylethyl)pyrazole-4-carboxamide
CID 118756483
1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide
CID 26322489
(2-ethylpiperidin-1-yl)-[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]methanone
CID 45230539
N-(2-methyl-2-morpholin-4-ylpropyl)quinoline-8-carboxamide
CID 17459698

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide (CID 26361722) is 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide is COCc1c(C(=O)NCC(C)(C)N2CCOCC2)cnn1-c1nccc(-c2ccccc2F)n1.
What is the InChIKey of 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide?
The InChIKey is PAJAGWYMCXQRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6O3/c1-24(2,30-10-12-34-13-11-30)16-27-22(32)18-14-28-31(21(18)15-33-3)23-26-9-8-20(29-23)17-6-4-5-7-19(17)25/h4-9,14H,10-13,15-16H2,1-3H3,(H,27,32).
What are the key properties of 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide?
1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide has a molecular weight of 468.53 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 26361722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).