4-methyl-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide

C11H17N3O — CID 79005573

IUPAC4-methyl-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)Nc2cn[nH]c2)CC1
InChIInChI=1S/C11H17N3O/c1-8-2-4-9(5-3-8)11(15)14-10-6-12-13-7-10/h6-9H,2-5H2,1H3,(H,12,13)(H,14,15)
InChIKeyPYFYHKVVZWCNAJ-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.17
Rot. Bonds2

About 4-methyl-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide

4-methyl-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide (PubChem CID 79005573) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-methyl-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide
PubChem CID79005573
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-methyl-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)Nc2cn[nH]c2)CC1
InChIInChI=1S/C11H17N3O/c1-8-2-4-9(5-3-8)11(15)14-10-6-12-13-7-10/h6-9H,2-5H2,1H3,(H,12,13)(H,14,15)
InChIKeyPYFYHKVVZWCNAJ-UHFFFAOYSA-N
XLogP2.17
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-methyl-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide (CID 79005573) is 4-methyl-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-methyl-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide is CC1CCC(C(=O)Nc2cn[nH]c2)CC1.
What is the InChIKey of 4-methyl-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide?
The InChIKey is PYFYHKVVZWCNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-2-4-9(5-3-8)11(15)14-10-6-12-13-7-10/h6-9H,2-5H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 4-methyl-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide?
4-methyl-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide has a molecular weight of 207.28 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 79005573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).