5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide

C22H20N6OS — CID 42363400

IUPAC5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
SMILESCc1cnc(-n2ncc(C(=O)NCc3ccccn3)c2C2CC2)nc1-c1cccs1
InChIInChI=1S/C22H20N6OS/c1-14-11-25-22(27-19(14)18-6-4-10-30-18)28-20(15-7-8-15)17(13-26-28)21(29)24-12-16-5-2-3-9-23-16/h2-6,9-11,13,15H,7-8,12H2,1H3,(H,24,29)
InChIKeyNMUPRPRITLWPKS-UHFFFAOYSA-N
MW416.51 g/mol
LogP3.90
Rot. Bonds6

About 5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide

5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 42363400) has the molecular formula C22H20N6OS and a molecular weight of 416.51 g/mol. Its IUPAC name is 5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID42363400
Molecular FormulaC22H20N6OS
Molecular Weight416.51 g/mol
Exact Mass416.14
IUPAC Name5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
SMILESCc1cnc(-n2ncc(C(=O)NCc3ccccn3)c2C2CC2)nc1-c1cccs1
InChIInChI=1S/C22H20N6OS/c1-14-11-25-22(27-19(14)18-6-4-10-30-18)28-20(15-7-8-15)17(13-26-28)21(29)24-12-16-5-2-3-9-23-16/h2-6,9-11,13,15H,7-8,12H2,1H3,(H,24,29)
InChIKeyNMUPRPRITLWPKS-UHFFFAOYSA-N
XLogP3.90
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 26341281
5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
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5-cyclopropyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
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5-cyclopropyl-N-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(oxolan-3-yl)pyrazole-4-carboxamide
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CID 145278478
(4-cyclohexylpiperazin-1-yl)-[5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone
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5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide
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N-[(2,3-dimethoxyphenyl)methyl]-5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 42238978
5-cyclopropyl-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
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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-(2-methylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
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iodomethyl 3-[[5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carbonyl]amino]propanoate
CID 126711757

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide (CID 42363400) is 5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide is Cc1cnc(-n2ncc(C(=O)NCc3ccccn3)c2C2CC2)nc1-c1cccs1.
What is the InChIKey of 5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is NMUPRPRITLWPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6OS/c1-14-11-25-22(27-19(14)18-6-4-10-30-18)28-20(15-7-8-15)17(13-26-28)21(29)24-12-16-5-2-3-9-23-16/h2-6,9-11,13,15H,7-8,12H2,1H3,(H,24,29).
What are the key properties of 5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 416.51 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 42363400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).