N-(5-cyclopropyl-1H-pyrazol-4-yl)-2,4,4-trimethylcyclohexene-1-carboxamide

C16H23N3O — CID 166252888

IUPACN-(5-cyclopropyl-1H-pyrazol-4-yl)-2,4,4-trimethylcyclohexene-1-carboxamide
SMILESCC1=C(C(=O)Nc2cn[nH]c2C2CC2)CCC(C)(C)C1
InChIInChI=1S/C16H23N3O/c1-10-8-16(2,3)7-6-12(10)15(20)18-13-9-17-19-14(13)11-4-5-11/h9,11H,4-8H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyGXJXYVBDYPMIDI-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.75
Rot. Bonds3

About N-(5-cyclopropyl-1H-pyrazol-4-yl)-2,4,4-trimethylcyclohexene-1-carboxamide

N-(5-cyclopropyl-1H-pyrazol-4-yl)-2,4,4-trimethylcyclohexene-1-carboxamide (PubChem CID 166252888) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-4-yl)-2,4,4-trimethylcyclohexene-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-4-yl)-2,4,4-trimethylcyclohexene-1-carboxamide
PubChem CID166252888
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-4-yl)-2,4,4-trimethylcyclohexene-1-carboxamide
SMILESCC1=C(C(=O)Nc2cn[nH]c2C2CC2)CCC(C)(C)C1
InChIInChI=1S/C16H23N3O/c1-10-8-16(2,3)7-6-12(10)15(20)18-13-9-17-19-14(13)11-4-5-11/h9,11H,4-8H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyGXJXYVBDYPMIDI-UHFFFAOYSA-N
XLogP3.75
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-N-(5-cyclopropyl-1H-pyrazol-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 154851326
1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(4,5-dimethyl-2-pyridinyl)urea
CID 166410481
N-(5-cyclopropyl-1H-pyrazol-4-yl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 146109328
1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(3-propan-2-ylpyrazin-2-yl)urea
CID 167867415
1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(6-cyclopropylpyridazin-3-yl)urea
CID 166243941
1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-[5-(3-methylbutyl)-2-pyridinyl]urea
CID 166244026
1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-[4-(hydroxymethyl)phenyl]urea
CID 166262560
N-(5-cyclopropyl-1H-pyrazol-4-yl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 126834655
1-(6-chloro-5-ethyl-2-pyridinyl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea
CID 166292729
1-(5-cyclopropyl-1H-pyrazol-4-yl)ethanone
CID 83872450
1-(4-tert-butylpyrimidin-2-yl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea
CID 166280851
1-(4-cyclobutylpyrimidin-2-yl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea
CID 166281005

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-4-yl)-2,4,4-trimethylcyclohexene-1-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-4-yl)-2,4,4-trimethylcyclohexene-1-carboxamide (CID 166252888) is N-(5-cyclopropyl-1H-pyrazol-4-yl)-2,4,4-trimethylcyclohexene-1-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-4-yl)-2,4,4-trimethylcyclohexene-1-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-4-yl)-2,4,4-trimethylcyclohexene-1-carboxamide is CC1=C(C(=O)Nc2cn[nH]c2C2CC2)CCC(C)(C)C1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-4-yl)-2,4,4-trimethylcyclohexene-1-carboxamide?
The InChIKey is GXJXYVBDYPMIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-10-8-16(2,3)7-6-12(10)15(20)18-13-9-17-19-14(13)11-4-5-11/h9,11H,4-8H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-4-yl)-2,4,4-trimethylcyclohexene-1-carboxamide?
N-(5-cyclopropyl-1H-pyrazol-4-yl)-2,4,4-trimethylcyclohexene-1-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-4-yl)-2,4,4-trimethylcyclohexene-1-carboxamide is sourced from PubChem (CID 166252888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).