N-(2,6-dimethylcyclohexyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C16H25N3O — CID 71935713

IUPACN-(2,6-dimethylcyclohexyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCC1CCCC(C)C1NC(=O)C1CC1c1cnn(C)c1
InChIInChI=1S/C16H25N3O/c1-10-5-4-6-11(2)15(10)18-16(20)14-7-13(14)12-8-17-19(3)9-12/h8-11,13-15H,4-7H2,1-3H3,(H,18,20)
InChIKeyBSNPRVBQYXQZHG-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.46
Rot. Bonds3

About N-(2,6-dimethylcyclohexyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

N-(2,6-dimethylcyclohexyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 71935713) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(2,6-dimethylcyclohexyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylcyclohexyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID71935713
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-(2,6-dimethylcyclohexyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCC1CCCC(C)C1NC(=O)C1CC1c1cnn(C)c1
InChIInChI=1S/C16H25N3O/c1-10-5-4-6-11(2)15(10)18-16(20)14-7-13(14)12-8-17-19(3)9-12/h8-11,13-15H,4-7H2,1-3H3,(H,18,20)
InChIKeyBSNPRVBQYXQZHG-UHFFFAOYSA-N
XLogP2.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-(1-methylpyrazol-4-yl)-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopropane-1-carboxamide
CID 126796439
(3R,4S)-N-(2-methylcyclopropyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120925495
(3R,4S)-N-cyclobutyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120924751
trans-(1R,2R)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95590711
trans-(1R,2R)-N-(2-cyclobutylpyrazol-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 136587817
2-(1-methylpyrazol-4-yl)cyclobutane-1-carboxylic acid
CID 81009464
trans-(1R,2R)-2-(1-methylpyrazol-4-yl)-N-(9H-xanthen-9-yl)cyclopropane-1-carboxamide
CID 95307559
(3R,4S)-N-[(2-methylcyclohexyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120927889
cis-(1R,2S)-2-(1-methylpyrazol-4-yl)-N-(9H-xanthen-9-yl)cyclopropane-1-carboxamide
CID 95307560
cis-(1S,2R)-2-(1-methylpyrazol-4-yl)-N-(9H-xanthen-9-yl)cyclopropane-1-carboxamide
CID 95307557
N-(2-cyclopentyloxyphenyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 71935709
(3R,4S)-N-(3-methylcyclobutyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120933475

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylcyclohexyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2,6-dimethylcyclohexyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 71935713) is N-(2,6-dimethylcyclohexyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2,6-dimethylcyclohexyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2,6-dimethylcyclohexyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is CC1CCCC(C)C1NC(=O)C1CC1c1cnn(C)c1.
What is the InChIKey of N-(2,6-dimethylcyclohexyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is BSNPRVBQYXQZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-10-5-4-6-11(2)15(10)18-16(20)14-7-13(14)12-8-17-19(3)9-12/h8-11,13-15H,4-7H2,1-3H3,(H,18,20).
What are the key properties of N-(2,6-dimethylcyclohexyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
N-(2,6-dimethylcyclohexyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylcyclohexyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 71935713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).