3-(4-cyanophenyl)-4-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-1-propan-2-ylpyrazole-5-carboxamide

C22H26N4O — CID 45110722

IUPAC3-(4-cyanophenyl)-4-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-1-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)n1nc(-c2ccc(C#N)cc2)c(C2CC2)c1C(=O)N(C)CC1CC1
InChIInChI=1S/C22H26N4O/c1-14(2)26-21(22(27)25(3)13-16-4-5-16)19(17-10-11-17)20(24-26)18-8-6-15(12-23)7-9-18/h6-9,14,16-17H,4-5,10-11,13H2,1-3H3
InChIKeyPNXMWRMYLRHPOU-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.36
Rot. Bonds6

About 3-(4-cyanophenyl)-4-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-1-propan-2-ylpyrazole-5-carboxamide

3-(4-cyanophenyl)-4-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-1-propan-2-ylpyrazole-5-carboxamide (PubChem CID 45110722) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-4-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-1-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-4-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-1-propan-2-ylpyrazole-5-carboxamide
PubChem CID45110722
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name3-(4-cyanophenyl)-4-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-1-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)n1nc(-c2ccc(C#N)cc2)c(C2CC2)c1C(=O)N(C)CC1CC1
InChIInChI=1S/C22H26N4O/c1-14(2)26-21(22(27)25(3)13-16-4-5-16)19(17-10-11-17)20(24-26)18-8-6-15(12-23)7-9-18/h6-9,14,16-17H,4-5,10-11,13H2,1-3H3
InChIKeyPNXMWRMYLRHPOU-UHFFFAOYSA-N
XLogP4.36
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-cyclopropyl-5-[2-[(3S)-1-methylsulfonylpyrrolidin-3-yl]acetyl]-1-propan-2-ylpyrazol-3-yl]benzonitrile
CID 147743431
3-(4-cyanophenyl)-4-cyclopropyl-N-(oxan-4-yl)-1-propan-2-ylpyrazole-5-carboxamide
CID 59504787
methyl 2-[[3-(4-cyanophenyl)-4-cyclopropyl-1-propan-2-ylpyrazole-5-carbonyl]amino]-2-methylpropanoate
CID 45110334
tert-butyl 3-[[3-(4-cyanophenyl)-4-cyclopropyl-1-propan-2-ylpyrazole-5-carbonyl]amino]azetidine-1-carboxylate
CID 59504854
3-(4-cyanophenyl)-4-cyclopropyl-1-propan-2-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-5-carboxamide
CID 45110591
3-(4-cyanophenyl)-N-(cyclopropylmethyl)-4-ethyl-1-propan-2-ylpyrazole-5-carboxamide
CID 59504827
4-cyano-3-(4-cyanophenyl)-N-cyclopropyl-1-propan-2-ylpyrazole-5-carboxamide
CID 45111596
3-(4-cyanophenyl)-N-cyclopropyl-4-ethyl-1-propan-2-ylpyrazole-5-carboxamide
CID 59504837
4-cyano-3-(4-cyanophenyl)-N-ethyl-1-propan-2-ylpyrazole-5-carboxamide
CID 45111454
4-[4-(3,3-difluorocyclobutyl)-5-iodo-1-propan-2-ylpyrazol-3-yl]benzonitrile
CID 59504789
tert-butyl 4-chloro-3-(4-cyanophenyl)-1-propan-2-ylpyrazole-5-carboxylate
CID 59504859
4-[[(4-cyanobenzoyl)-methylamino]methyl]piperidine-1-carboxylic acid
CID 141379176

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-4-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-1-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 3-(4-cyanophenyl)-4-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-1-propan-2-ylpyrazole-5-carboxamide (CID 45110722) is 3-(4-cyanophenyl)-4-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-1-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-cyanophenyl)-4-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-1-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 3-(4-cyanophenyl)-4-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-1-propan-2-ylpyrazole-5-carboxamide is CC(C)n1nc(-c2ccc(C#N)cc2)c(C2CC2)c1C(=O)N(C)CC1CC1.
What is the InChIKey of 3-(4-cyanophenyl)-4-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-1-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is PNXMWRMYLRHPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-14(2)26-21(22(27)25(3)13-16-4-5-16)19(17-10-11-17)20(24-26)18-8-6-15(12-23)7-9-18/h6-9,14,16-17H,4-5,10-11,13H2,1-3H3.
What are the key properties of 3-(4-cyanophenyl)-4-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-1-propan-2-ylpyrazole-5-carboxamide?
3-(4-cyanophenyl)-4-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-1-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-4-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-1-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 45110722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).