5-methyl-1-phenyl-N-(1-pyrrolidin-3-ylcyclopropyl)pyrazole-3-carboxamide

C18H22N4O — CID 136573031

IUPAC5-methyl-1-phenyl-N-(1-pyrrolidin-3-ylcyclopropyl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2(C3CCNC3)CC2)nn1-c1ccccc1
InChIInChI=1S/C18H22N4O/c1-13-11-16(21-22(13)15-5-3-2-4-6-15)17(23)20-18(8-9-18)14-7-10-19-12-14/h2-6,11,14,19H,7-10,12H2,1H3,(H,20,23)
InChIKeyRBGNSYIYLZIFKV-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.05
Rot. Bonds4

About 5-methyl-1-phenyl-N-(1-pyrrolidin-3-ylcyclopropyl)pyrazole-3-carboxamide

5-methyl-1-phenyl-N-(1-pyrrolidin-3-ylcyclopropyl)pyrazole-3-carboxamide (PubChem CID 136573031) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 5-methyl-1-phenyl-N-(1-pyrrolidin-3-ylcyclopropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-1-phenyl-N-(1-pyrrolidin-3-ylcyclopropyl)pyrazole-3-carboxamide
PubChem CID136573031
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name5-methyl-1-phenyl-N-(1-pyrrolidin-3-ylcyclopropyl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2(C3CCNC3)CC2)nn1-c1ccccc1
InChIInChI=1S/C18H22N4O/c1-13-11-16(21-22(13)15-5-3-2-4-6-15)17(23)20-18(8-9-18)14-7-10-19-12-14/h2-6,11,14,19H,7-10,12H2,1H3,(H,20,23)
InChIKeyRBGNSYIYLZIFKV-UHFFFAOYSA-N
XLogP2.05
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(methoxymethyl)piperidin-4-yl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 166262059
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
N-(2-adamantyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 78884030
1-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120515048
N-(2,3-dimethylcyclohexyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55762098
N-(3-cyclopentylpropyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55761903
N-[cyclopropyl-(4-methylphenyl)methyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55759168
5-methyl-1-phenylpyrazole-3-carboxamide
CID 68896199
N-(1-amino-2-cyclopropylpropan-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide;hydrochloride
CID 119573908
5-methyl-N'-(oxolane-2-carbonyl)-1-phenylpyrazole-3-carbohydrazide
CID 60556519
5-methyl-N-(3-methyl-2-oxobutyl)-1-phenylpyrazole-3-carboxamide
CID 142965517
5-methyl-1-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrazole-3-carboxamide
CID 55794460

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-N-(1-pyrrolidin-3-ylcyclopropyl)pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-1-phenyl-N-(1-pyrrolidin-3-ylcyclopropyl)pyrazole-3-carboxamide (CID 136573031) is 5-methyl-1-phenyl-N-(1-pyrrolidin-3-ylcyclopropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-1-phenyl-N-(1-pyrrolidin-3-ylcyclopropyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-1-phenyl-N-(1-pyrrolidin-3-ylcyclopropyl)pyrazole-3-carboxamide is Cc1cc(C(=O)NC2(C3CCNC3)CC2)nn1-c1ccccc1.
What is the InChIKey of 5-methyl-1-phenyl-N-(1-pyrrolidin-3-ylcyclopropyl)pyrazole-3-carboxamide?
The InChIKey is RBGNSYIYLZIFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-11-16(21-22(13)15-5-3-2-4-6-15)17(23)20-18(8-9-18)14-7-10-19-12-14/h2-6,11,14,19H,7-10,12H2,1H3,(H,20,23).
What are the key properties of 5-methyl-1-phenyl-N-(1-pyrrolidin-3-ylcyclopropyl)pyrazole-3-carboxamide?
5-methyl-1-phenyl-N-(1-pyrrolidin-3-ylcyclopropyl)pyrazole-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-N-(1-pyrrolidin-3-ylcyclopropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 136573031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).