N-[2-(2-chlorophenyl)-2-methylcyclopropyl]-4-(4-methylpyrazol-1-yl)piperidine-1-carboxamide

C20H25ClN4O — CID 166211503

IUPACN-[2-(2-chlorophenyl)-2-methylcyclopropyl]-4-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
SMILESCc1cnn(C2CCN(C(=O)NC3CC3(C)c3ccccc3Cl)CC2)c1
InChIInChI=1S/C20H25ClN4O/c1-14-12-22-25(13-14)15-7-9-24(10-8-15)19(26)23-18-11-20(18,2)16-5-3-4-6-17(16)21/h3-6,12-13,15,18H,7-11H2,1-2H3,(H,23,26)
InChIKeyXJDLNXCDMOCYKM-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.92
Rot. Bonds3

About N-[2-(2-chlorophenyl)-2-methylcyclopropyl]-4-(4-methylpyrazol-1-yl)piperidine-1-carboxamide

N-[2-(2-chlorophenyl)-2-methylcyclopropyl]-4-(4-methylpyrazol-1-yl)piperidine-1-carboxamide (PubChem CID 166211503) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-methylcyclopropyl]-4-(4-methylpyrazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-methylcyclopropyl]-4-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
PubChem CID166211503
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC NameN-[2-(2-chlorophenyl)-2-methylcyclopropyl]-4-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
SMILESCc1cnn(C2CCN(C(=O)NC3CC3(C)c3ccccc3Cl)CC2)c1
InChIInChI=1S/C20H25ClN4O/c1-14-12-22-25(13-14)15-7-9-24(10-8-15)19(26)23-18-11-20(18,2)16-5-3-4-6-17(16)21/h3-6,12-13,15,18H,7-11H2,1-2H3,(H,23,26)
InChIKeyXJDLNXCDMOCYKM-UHFFFAOYSA-N
XLogP3.92
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 167779567
N-[[1-(2-bromophenyl)cyclopropyl]methyl]-3-(4-methylpyrazol-1-yl)pyrrolidine-1-carboxamide
CID 139004157
4-(4-chloropyrazol-1-yl)-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide
CID 110018779
N-(2,3-difluoro-4-pyridinyl)-4-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
CID 167909053
2-(3-chlorophenyl)-N-[2-(2-chlorophenyl)-2-methylcyclopropyl]acetamide
CID 166211233
1-[3-[3-(4-methylpyrazol-1-yl)pyrrolidine-1-carbonyl]azetidin-1-yl]ethanone
CID 136543837
N-[4-(methoxymethyl)cyclohexyl]-3-(4-methylpyrazol-1-yl)pyrrolidine-1-carboxamide
CID 128737521
[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone
CID 166253150
N-(2-cyclopropylpyrazol-3-yl)-3-(4-methylpyrazol-1-yl)pyrrolidine-1-carboxamide
CID 167758528
8-[(2-chlorophenyl)methylsulfonyl]-3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane
CID 154831363
N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoacetamide
CID 166185682
N-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]-4-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
CID 166227798

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-methylcyclopropyl]-4-(4-methylpyrazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-methylcyclopropyl]-4-(4-methylpyrazol-1-yl)piperidine-1-carboxamide (CID 166211503) is N-[2-(2-chlorophenyl)-2-methylcyclopropyl]-4-(4-methylpyrazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-methylcyclopropyl]-4-(4-methylpyrazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-methylcyclopropyl]-4-(4-methylpyrazol-1-yl)piperidine-1-carboxamide is Cc1cnn(C2CCN(C(=O)NC3CC3(C)c3ccccc3Cl)CC2)c1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-methylcyclopropyl]-4-(4-methylpyrazol-1-yl)piperidine-1-carboxamide?
The InChIKey is XJDLNXCDMOCYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O/c1-14-12-22-25(13-14)15-7-9-24(10-8-15)19(26)23-18-11-20(18,2)16-5-3-4-6-17(16)21/h3-6,12-13,15,18H,7-11H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(2-chlorophenyl)-2-methylcyclopropyl]-4-(4-methylpyrazol-1-yl)piperidine-1-carboxamide?
N-[2-(2-chlorophenyl)-2-methylcyclopropyl]-4-(4-methylpyrazol-1-yl)piperidine-1-carboxamide has a molecular weight of 372.90 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-methylcyclopropyl]-4-(4-methylpyrazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 166211503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).