5-cyclopropyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide

C22H22N6OS2 — CID 45252572

IUPAC5-cyclopropyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
SMILESCc1nc(C(C)NC(=O)c2cnn(-c3ncc(C)c(-c4cccs4)n3)c2C2CC2)cs1
InChIInChI=1S/C22H22N6OS2/c1-12-9-23-22(27-19(12)18-5-4-8-30-18)28-20(15-6-7-15)16(10-24-28)21(29)25-13(2)17-11-31-14(3)26-17/h4-5,8-11,13,15H,6-7H2,1-3H3,(H,25,29)
InChIKeyVZLRXAAKCVFGQL-UHFFFAOYSA-N
MW450.59 g/mol
LogP4.83
Rot. Bonds6

About 5-cyclopropyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide

5-cyclopropyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide (PubChem CID 45252572) has the molecular formula C22H22N6OS2 and a molecular weight of 450.59 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
PubChem CID45252572
Molecular FormulaC22H22N6OS2
Molecular Weight450.59 g/mol
Exact Mass450.13
IUPAC Name5-cyclopropyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
SMILESCc1nc(C(C)NC(=O)c2cnn(-c3ncc(C)c(-c4cccs4)n3)c2C2CC2)cs1
InChIInChI=1S/C22H22N6OS2/c1-12-9-23-22(27-19(12)18-5-4-8-30-18)28-20(15-6-7-15)16(10-24-28)21(29)25-13(2)17-11-31-14(3)26-17/h4-5,8-11,13,15H,6-7H2,1-3H3,(H,25,29)
InChIKeyVZLRXAAKCVFGQL-UHFFFAOYSA-N
XLogP4.83
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-cyclopropyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide with MolForge

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Related Compounds

5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 42363400
5-cyclopropyl-N-(2-hydroxyethyl)-N-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 26341281
acetaldehyde;[5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 145278478
5-cyclopropyl-N-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(oxolan-3-yl)pyrazole-4-carboxamide
CID 45168394
(4-cyclohexylpiperazin-1-yl)-[5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone
CID 118757720
1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazole-4-carboxamide
CID 42340788
[5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 42406160
[5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 25290844
5-butyl-N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 67390603
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-butyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)pyrazole-4-carboxamide
CID 67391228
5-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108810873

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide (CID 45252572) is 5-cyclopropyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide is Cc1nc(C(C)NC(=O)c2cnn(-c3ncc(C)c(-c4cccs4)n3)c2C2CC2)cs1.
What is the InChIKey of 5-cyclopropyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The InChIKey is VZLRXAAKCVFGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6OS2/c1-12-9-23-22(27-19(12)18-5-4-8-30-18)28-20(15-6-7-15)16(10-24-28)21(29)25-13(2)17-11-31-14(3)26-17/h4-5,8-11,13,15H,6-7H2,1-3H3,(H,25,29).
What are the key properties of 5-cyclopropyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
5-cyclopropyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide has a molecular weight of 450.59 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 45252572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).