N-cyclohexyl-1-methyl-4-prop-2-enylpyrazole-5-carboxamide

C14H21N3O — CID 170457714

IUPACN-cyclohexyl-1-methyl-4-prop-2-enylpyrazole-5-carboxamide
SMILESC=CCc1cnn(C)c1C(=O)NC1CCCCC1
InChIInChI=1S/C14H21N3O/c1-3-7-11-10-15-17(2)13(11)14(18)16-12-8-5-4-6-9-12/h3,10,12H,1,4-9H2,2H3,(H,16,18)
InChIKeyDYUIJMMUVXTSEZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.21
Rot. Bonds4

About N-cyclohexyl-1-methyl-4-prop-2-enylpyrazole-5-carboxamide

N-cyclohexyl-1-methyl-4-prop-2-enylpyrazole-5-carboxamide (PubChem CID 170457714) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-cyclohexyl-1-methyl-4-prop-2-enylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-methyl-4-prop-2-enylpyrazole-5-carboxamide
PubChem CID170457714
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-cyclohexyl-1-methyl-4-prop-2-enylpyrazole-5-carboxamide
SMILESC=CCc1cnn(C)c1C(=O)NC1CCCCC1
InChIInChI=1S/C14H21N3O/c1-3-7-11-10-15-17(2)13(11)14(18)16-12-8-5-4-6-9-12/h3,10,12H,1,4-9H2,2H3,(H,16,18)
InChIKeyDYUIJMMUVXTSEZ-UHFFFAOYSA-N
XLogP2.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-1-methyl-4-prop-2-enylpyrazole-5-carboxamide
CID 170457707
N-cyclohexyl-4-iodo-1-methylpyrazole-5-carboxamide
CID 713201
4-amino-N-cyclohexyl-1-methylpyrazole-5-carboxamide
CID 65356046
(2-methylpiperidin-1-yl)-(1-methyl-4-prop-2-enylpyrazol-5-yl)methanone
CID 170457723
N-cyclopentyl-4-iodo-1-methylpyrazole-5-carboxamide
CID 903286
N-cyclooctyl-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 156577123
N-cycloheptyl-2-methyltriazole-4-carboxamide
CID 110691433
3-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622223
1-[4-(aminomethyl)-1-methylpyrazol-5-yl]-3-cyclobutylurea
CID 116658180
4-N-cycloheptyl-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043526
N-cycloheptyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 71563028
N-cyclohexyl-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 961960

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-methyl-4-prop-2-enylpyrazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-1-methyl-4-prop-2-enylpyrazole-5-carboxamide (CID 170457714) is N-cyclohexyl-1-methyl-4-prop-2-enylpyrazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-methyl-4-prop-2-enylpyrazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-1-methyl-4-prop-2-enylpyrazole-5-carboxamide is C=CCc1cnn(C)c1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-1-methyl-4-prop-2-enylpyrazole-5-carboxamide?
The InChIKey is DYUIJMMUVXTSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-7-11-10-15-17(2)13(11)14(18)16-12-8-5-4-6-9-12/h3,10,12H,1,4-9H2,2H3,(H,16,18).
What are the key properties of N-cyclohexyl-1-methyl-4-prop-2-enylpyrazole-5-carboxamide?
N-cyclohexyl-1-methyl-4-prop-2-enylpyrazole-5-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-methyl-4-prop-2-enylpyrazole-5-carboxamide is sourced from PubChem (CID 170457714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).