N-[(1S)-1-(cyclohexen-1-yl)ethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide

C15H23N3O — CID 97445884

IUPACN-[(1S)-1-(cyclohexen-1-yl)ethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)N[C@@H](C)C2=CCCCC2)c1C
InChIInChI=1S/C15H23N3O/c1-4-13-10(2)14(18-17-13)15(19)16-11(3)12-8-6-5-7-9-12/h8,11H,4-7,9H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
InChIKeyZBPLGHKQYWWTDG-NSHDSACASA-N
MW261.37 g/mol
LogP2.90
Rot. Bonds4

About N-[(1S)-1-(cyclohexen-1-yl)ethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide

N-[(1S)-1-(cyclohexen-1-yl)ethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide (PubChem CID 97445884) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[(1S)-1-(cyclohexen-1-yl)ethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(cyclohexen-1-yl)ethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide
PubChem CID97445884
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[(1S)-1-(cyclohexen-1-yl)ethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)N[C@@H](C)C2=CCCCC2)c1C
InChIInChI=1S/C15H23N3O/c1-4-13-10(2)14(18-17-13)15(19)16-11(3)12-8-6-5-7-9-12/h8,11H,4-7,9H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
InChIKeyZBPLGHKQYWWTDG-NSHDSACASA-N
XLogP2.90
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N-[(1S)-1-(cyclohexen-1-yl)ethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-(cyclohexen-1-yl)ethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide (CID 97445884) is N-[(1S)-1-(cyclohexen-1-yl)ethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(cyclohexen-1-yl)ethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(cyclohexen-1-yl)ethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)N[C@@H](C)C2=CCCCC2)c1C.
What is the InChIKey of N-[(1S)-1-(cyclohexen-1-yl)ethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is ZBPLGHKQYWWTDG-NSHDSACASA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-13-10(2)14(18-17-13)15(19)16-11(3)12-8-6-5-7-9-12/h8,11H,4-7,9H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(cyclohexen-1-yl)ethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide?
N-[(1S)-1-(cyclohexen-1-yl)ethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(cyclohexen-1-yl)ethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 97445884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).