3-methyl-N-[(1R,2S)-2-phenylcyclopropyl]-1-propylpyrazole-4-carboxamide

C17H21N3O — CID 74242834

IUPAC3-methyl-N-[(1R,2S)-2-phenylcyclopropyl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)N[C@@H]2C[C@H]2c2ccccc2)c(C)n1
InChIInChI=1S/C17H21N3O/c1-3-9-20-11-15(12(2)19-20)17(21)18-16-10-14(16)13-7-5-4-6-8-13/h4-8,11,14,16H,3,9-10H2,1-2H3,(H,18,21)/t14-,16+/m0/s1
InChIKeyGXSWEKLQECNAQD-GOEBONIOSA-N
MW283.38 g/mol
LogP2.89
Rot. Bonds5

About 3-methyl-N-[(1R,2S)-2-phenylcyclopropyl]-1-propylpyrazole-4-carboxamide

3-methyl-N-[(1R,2S)-2-phenylcyclopropyl]-1-propylpyrazole-4-carboxamide (PubChem CID 74242834) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-methyl-N-[(1R,2S)-2-phenylcyclopropyl]-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(1R,2S)-2-phenylcyclopropyl]-1-propylpyrazole-4-carboxamide
PubChem CID74242834
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-methyl-N-[(1R,2S)-2-phenylcyclopropyl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)N[C@@H]2C[C@H]2c2ccccc2)c(C)n1
InChIInChI=1S/C17H21N3O/c1-3-9-20-11-15(12(2)19-20)17(21)18-16-10-14(16)13-7-5-4-6-8-13/h4-8,11,14,16H,3,9-10H2,1-2H3,(H,18,21)/t14-,16+/m0/s1
InChIKeyGXSWEKLQECNAQD-GOEBONIOSA-N
XLogP2.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide
CID 131908727
3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide
CID 131898012
3-methyl-N-[(1S,2R)-2-phenylcyclopropyl]-1,2-thiazole-4-carboxamide
CID 134108990
3-methyl-1-propyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]pyrazole-4-carboxamide
CID 56710020
3-methyl-1-propylpyrazole-4-carbonyl chloride
CID 15616731
2-(2-hydroxyethyl)-N-[(1R,2S)-2-phenylcyclopropyl]pyrazole-3-carboxamide
CID 119069614
4-amino-3-ethyl-1-methyl-N-(2-phenylcyclopropyl)pyrazole-5-carboxamide
CID 66118023
5-amino-1-methyl-N-(2-phenylcyclopropyl)pyrazole-4-carboxamide
CID 115330669
N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 7350127
1-methyl-6-oxo-N-(2-phenylcyclopropyl)-4,5-dihydropyridazine-3-carboxamide
CID 75462215
1-methyl-N-(2-phenylcyclopropyl)pyrrole-2-carboxamide
CID 86768199
N-[3-(dimethylamino)-1-phenylpropyl]-3-methyl-1-propylpyrazole-4-carboxamide
CID 118796171

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1R,2S)-2-phenylcyclopropyl]-1-propylpyrazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[(1R,2S)-2-phenylcyclopropyl]-1-propylpyrazole-4-carboxamide (CID 74242834) is 3-methyl-N-[(1R,2S)-2-phenylcyclopropyl]-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[(1R,2S)-2-phenylcyclopropyl]-1-propylpyrazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[(1R,2S)-2-phenylcyclopropyl]-1-propylpyrazole-4-carboxamide is CCCn1cc(C(=O)N[C@@H]2C[C@H]2c2ccccc2)c(C)n1.
What is the InChIKey of 3-methyl-N-[(1R,2S)-2-phenylcyclopropyl]-1-propylpyrazole-4-carboxamide?
The InChIKey is GXSWEKLQECNAQD-GOEBONIOSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-9-20-11-15(12(2)19-20)17(21)18-16-10-14(16)13-7-5-4-6-8-13/h4-8,11,14,16H,3,9-10H2,1-2H3,(H,18,21)/t14-,16+/m0/s1.
What are the key properties of 3-methyl-N-[(1R,2S)-2-phenylcyclopropyl]-1-propylpyrazole-4-carboxamide?
3-methyl-N-[(1R,2S)-2-phenylcyclopropyl]-1-propylpyrazole-4-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1R,2S)-2-phenylcyclopropyl]-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 74242834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).