(1S)-N-(5-methyl-2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide

C14H21N3O — CID 164633113

IUPAC(1S)-N-(5-methyl-2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide
SMILESCCCn1nc(C)cc1NC(=O)[C@@H]1CC=CCC1
InChIInChI=1S/C14H21N3O/c1-3-9-17-13(10-11(2)16-17)15-14(18)12-7-5-4-6-8-12/h4-5,10,12H,3,6-9H2,1-2H3,(H,15,18)/t12-/m1/s1
InChIKeyOGRXXRYLXGOESI-GFCCVEGCSA-N
MW247.34 g/mol
LogP2.90
Rot. Bonds4

About (1S)-N-(5-methyl-2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide

(1S)-N-(5-methyl-2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide (PubChem CID 164633113) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (1S)-N-(5-methyl-2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-(5-methyl-2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide
PubChem CID164633113
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(1S)-N-(5-methyl-2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide
SMILESCCCn1nc(C)cc1NC(=O)[C@@H]1CC=CCC1
InChIInChI=1S/C14H21N3O/c1-3-9-17-13(10-11(2)16-17)15-14(18)12-7-5-4-6-8-12/h4-5,10,12H,3,6-9H2,1-2H3,(H,15,18)/t12-/m1/s1
InChIKeyOGRXXRYLXGOESI-GFCCVEGCSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-(5-methyl-2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S)-N-(5-methyl-2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide (CID 164633113) is (1S)-N-(5-methyl-2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S)-N-(5-methyl-2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S)-N-(5-methyl-2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide is CCCn1nc(C)cc1NC(=O)[C@@H]1CC=CCC1.
What is the InChIKey of (1S)-N-(5-methyl-2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide?
The InChIKey is OGRXXRYLXGOESI-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-9-17-13(10-11(2)16-17)15-14(18)12-7-5-4-6-8-12/h4-5,10,12H,3,6-9H2,1-2H3,(H,15,18)/t12-/m1/s1.
What are the key properties of (1S)-N-(5-methyl-2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide?
(1S)-N-(5-methyl-2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(5-methyl-2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 164633113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).