3-cyclohexyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide

C13H23N3O — CID 159007363

IUPAC3-cyclohexyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide
SMILESCC(C)NC(=O)N1N=CCC1C1CCCCC1
InChIInChI=1S/C13H23N3O/c1-10(2)15-13(17)16-12(8-9-14-16)11-6-4-3-5-7-11/h9-12H,3-8H2,1-2H3,(H,15,17)
InChIKeyLFVYMZWQELCYFK-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.74
Rot. Bonds2

About 3-cyclohexyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide

3-cyclohexyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 159007363) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-cyclohexyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name3-cyclohexyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide
PubChem CID159007363
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-cyclohexyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide
SMILESCC(C)NC(=O)N1N=CCC1C1CCCCC1
InChIInChI=1S/C13H23N3O/c1-10(2)15-13(17)16-12(8-9-14-16)11-6-4-3-5-7-11/h9-12H,3-8H2,1-2H3,(H,15,17)
InChIKeyLFVYMZWQELCYFK-UHFFFAOYSA-N
XLogP2.74
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 3-cyclohexyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide (CID 159007363) is 3-cyclohexyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 3-cyclohexyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 3-cyclohexyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide is CC(C)NC(=O)N1N=CCC1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is LFVYMZWQELCYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)15-13(17)16-12(8-9-14-16)11-6-4-3-5-7-11/h9-12H,3-8H2,1-2H3,(H,15,17).
What are the key properties of 3-cyclohexyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide?
3-cyclohexyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 237.35 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 159007363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).