1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide

C15H23N3O — CID 141172641

IUPAC1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
SMILESNC(=O)c1nn(C2CCCCC2)c2c1CCCCC2
InChIInChI=1S/C15H23N3O/c16-15(19)14-12-9-5-2-6-10-13(12)18(17-14)11-7-3-1-4-8-11/h11H,1-10H2,(H2,16,19)
InChIKeyYWEWQAWZMOGQPF-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.76
Rot. Bonds2

About 1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide

1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide (PubChem CID 141172641) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
PubChem CID141172641
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
SMILESNC(=O)c1nn(C2CCCCC2)c2c1CCCCC2
InChIInChI=1S/C15H23N3O/c16-15(19)14-12-9-5-2-6-10-13(12)18(17-14)11-7-3-1-4-8-11/h11H,1-10H2,(H2,16,19)
InChIKeyYWEWQAWZMOGQPF-UHFFFAOYSA-N
XLogP2.76
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 69193043
1-cyclohexyl-N-[(1R)-1-cyclohexylethyl]-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 71017183
N-[1-(1-adamantyl)ethyl]-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 66647671
N-[1-(1-adamantyl)ethyl]-1-cyclopentyl-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carboxamide
CID 16660513
1-cyclohexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 59836213
1-cyclohexyl-N-[(1R)-1-phenylpropyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 59836372
ethyl 7-[(1-cyclohexyl-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carbonyl)amino]tricyclo[4.2.0.01,3]octane-7-carboxylate
CID 70850439
1-(1-cyclohexyl-4,5,6,7-tetrahydroindazol-3-yl)-2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]ethanone
CID 163778282
1-cycloheptyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonitrile
CID 105487277
1-cyclopropyl-3-methyl-4,5,6,7-tetrahydroindazole
CID 137437585
ethyl 1'-cyclohexylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole]-3'-carboxylate
CID 59836328
acetylene;1-cyclohexyl-N-[(1R)-2-hydroxy-1-phenylethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;ethane;1-fluoro-4-methylbenzene
CID 145479686

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide (CID 141172641) is 1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide is NC(=O)c1nn(C2CCCCC2)c2c1CCCCC2.
What is the InChIKey of 1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide?
The InChIKey is YWEWQAWZMOGQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c16-15(19)14-12-9-5-2-6-10-13(12)18(17-14)11-7-3-1-4-8-11/h11H,1-10H2,(H2,16,19).
What are the key properties of 1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide?
1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 141172641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).