5-cyclopropyl-N-(3-pyridin-4-ylpropyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide

C23H22N6OS — CID 25295869

IUPAC5-cyclopropyl-N-(3-pyridin-4-ylpropyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
SMILESO=C(NCCCc1ccncc1)c1cnn(-c2nccc(-c3cccs3)n2)c1C1CC1
InChIInChI=1S/C23H22N6OS/c30-22(25-10-1-3-16-7-11-24-12-8-16)18-15-27-29(21(18)17-5-6-17)23-26-13-9-19(28-23)20-4-2-14-31-20/h2,4,7-9,11-15,17H,1,3,5-6,10H2,(H,25,30)
InChIKeyLSHOJFVWSLPUSF-UHFFFAOYSA-N
MW430.54 g/mol
LogP4.03
Rot. Bonds8

About 5-cyclopropyl-N-(3-pyridin-4-ylpropyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide

5-cyclopropyl-N-(3-pyridin-4-ylpropyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide (PubChem CID 25295869) has the molecular formula C23H22N6OS and a molecular weight of 430.54 g/mol. Its IUPAC name is 5-cyclopropyl-N-(3-pyridin-4-ylpropyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(3-pyridin-4-ylpropyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
PubChem CID25295869
Molecular FormulaC23H22N6OS
Molecular Weight430.54 g/mol
Exact Mass430.16
IUPAC Name5-cyclopropyl-N-(3-pyridin-4-ylpropyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
SMILESO=C(NCCCc1ccncc1)c1cnn(-c2nccc(-c3cccs3)n2)c1C1CC1
InChIInChI=1S/C23H22N6OS/c30-22(25-10-1-3-16-7-11-24-12-8-16)18-15-27-29(21(18)17-5-6-17)23-26-13-9-19(28-23)20-4-2-14-31-20/h2,4,7-9,11-15,17H,1,3,5-6,10H2,(H,25,30)
InChIKeyLSHOJFVWSLPUSF-UHFFFAOYSA-N
XLogP4.03
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.54
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide
CID 26360751
5-methyl-N-(3-pyridin-4-ylpropyl)-1-(4-pyridin-3-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 42452521
[5-cyclopropyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-[(3S)-3-(diethylamino)pyrrolidin-1-yl]methanone
CID 42538930
5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(3-pyridin-4-ylpropyl)pyrazole-4-carboxamide
CID 118758067
5-(methoxymethyl)-N-(3-methylsulfanylpropyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 26325196
1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 42430014
5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 25326947
5-cyclopropyl-N-ethyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 42172287
5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 42363400
5-cyclopropyl-N-(2-methoxyethyl)-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide
CID 26350870
5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-(3-methoxypropyl)pyrazole-4-carboxamide
CID 42423261
5-cyclopropyl-N-(2-methoxyethyl)-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide
CID 42247667

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(3-pyridin-4-ylpropyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(3-pyridin-4-ylpropyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide (CID 25295869) is 5-cyclopropyl-N-(3-pyridin-4-ylpropyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(3-pyridin-4-ylpropyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(3-pyridin-4-ylpropyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide is O=C(NCCCc1ccncc1)c1cnn(-c2nccc(-c3cccs3)n2)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-(3-pyridin-4-ylpropyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The InChIKey is LSHOJFVWSLPUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6OS/c30-22(25-10-1-3-16-7-11-24-12-8-16)18-15-27-29(21(18)17-5-6-17)23-26-13-9-19(28-23)20-4-2-14-31-20/h2,4,7-9,11-15,17H,1,3,5-6,10H2,(H,25,30).
What are the key properties of 5-cyclopropyl-N-(3-pyridin-4-ylpropyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
5-cyclopropyl-N-(3-pyridin-4-ylpropyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide has a molecular weight of 430.54 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(3-pyridin-4-ylpropyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 25295869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).