N-(4-hydroxycyclohexyl)-3-phenyl-1H-pyrazole-5-carboxamide

C16H19N3O2 — CID 43392961

IUPACN-(4-hydroxycyclohexyl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H19N3O2/c20-13-8-6-12(7-9-13)17-16(21)15-10-14(18-19-15)11-4-2-1-3-5-11/h1-5,10,12-13,20H,6-9H2,(H,17,21)(H,18,19)
InChIKeyAQDRWHAJRPREQV-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.11
Rot. Bonds3

About N-(4-hydroxycyclohexyl)-3-phenyl-1H-pyrazole-5-carboxamide

N-(4-hydroxycyclohexyl)-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 43392961) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID43392961
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(4-hydroxycyclohexyl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H19N3O2/c20-13-8-6-12(7-9-13)17-16(21)15-10-14(18-19-15)11-4-2-1-3-5-11/h1-5,10,12-13,20H,6-9H2,(H,17,21)(H,18,19)
InChIKeyAQDRWHAJRPREQV-UHFFFAOYSA-N
XLogP2.11
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-3-phenyl-1H-pyrazole-5-carboxamide (CID 43392961) is N-(4-hydroxycyclohexyl)-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-3-phenyl-1H-pyrazole-5-carboxamide is O=C(NC1CCC(O)CC1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is AQDRWHAJRPREQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-13-8-6-12(7-9-13)17-16(21)15-10-14(18-19-15)11-4-2-1-3-5-11/h1-5,10,12-13,20H,6-9H2,(H,17,21)(H,18,19).
What are the key properties of N-(4-hydroxycyclohexyl)-3-phenyl-1H-pyrazole-5-carboxamide?
N-(4-hydroxycyclohexyl)-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 43392961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).