N-(1-methyl-3-phenylpyrazol-5-yl)cyclohexanecarboxamide

C17H21N3O — CID 2815261

IUPACN-(1-methyl-3-phenylpyrazol-5-yl)cyclohexanecarboxamide
SMILESCn1nc(-c2ccccc2)cc1NC(=O)C1CCCCC1
InChIInChI=1S/C17H21N3O/c1-20-16(18-17(21)14-10-6-3-7-11-14)12-15(19-20)13-8-4-2-5-9-13/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3,(H,18,21)
InChIKeyRMTXWKSCNIVEGG-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.61
Rot. Bonds3

About N-(1-methyl-3-phenylpyrazol-5-yl)cyclohexanecarboxamide

N-(1-methyl-3-phenylpyrazol-5-yl)cyclohexanecarboxamide (PubChem CID 2815261) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(1-methyl-3-phenylpyrazol-5-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(1-methyl-3-phenylpyrazol-5-yl)cyclohexanecarboxamide
PubChem CID2815261
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-(1-methyl-3-phenylpyrazol-5-yl)cyclohexanecarboxamide
SMILESCn1nc(-c2ccccc2)cc1NC(=O)C1CCCCC1
InChIInChI=1S/C17H21N3O/c1-20-16(18-17(21)14-10-6-3-7-11-14)12-15(19-20)13-8-4-2-5-9-13/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3,(H,18,21)
InChIKeyRMTXWKSCNIVEGG-UHFFFAOYSA-N
XLogP3.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-3-phenylpyrazol-5-yl)cyclohexanecarboxamide?
The IUPAC name of N-(1-methyl-3-phenylpyrazol-5-yl)cyclohexanecarboxamide (CID 2815261) is N-(1-methyl-3-phenylpyrazol-5-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(1-methyl-3-phenylpyrazol-5-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(1-methyl-3-phenylpyrazol-5-yl)cyclohexanecarboxamide is Cn1nc(-c2ccccc2)cc1NC(=O)C1CCCCC1.
What is the InChIKey of N-(1-methyl-3-phenylpyrazol-5-yl)cyclohexanecarboxamide?
The InChIKey is RMTXWKSCNIVEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-20-16(18-17(21)14-10-6-3-7-11-14)12-15(19-20)13-8-4-2-5-9-13/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3,(H,18,21).
What are the key properties of N-(1-methyl-3-phenylpyrazol-5-yl)cyclohexanecarboxamide?
N-(1-methyl-3-phenylpyrazol-5-yl)cyclohexanecarboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-3-phenylpyrazol-5-yl)cyclohexanecarboxamide is sourced from PubChem (CID 2815261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).