N-[3-(3-methylpyrazol-1-yl)propyl]cyclohexanecarboxamide

C14H23N3O — CID 19323903

IUPACN-[3-(3-methylpyrazol-1-yl)propyl]cyclohexanecarboxamide
SMILESCc1ccn(CCCNC(=O)C2CCCCC2)n1
InChIInChI=1S/C14H23N3O/c1-12-8-11-17(16-12)10-5-9-15-14(18)13-6-3-2-4-7-13/h8,11,13H,2-7,9-10H2,1H3,(H,15,18)
InChIKeyRSYLGFHELFZANY-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.28
Rot. Bonds5

About N-[3-(3-methylpyrazol-1-yl)propyl]cyclohexanecarboxamide

N-[3-(3-methylpyrazol-1-yl)propyl]cyclohexanecarboxamide (PubChem CID 19323903) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[3-(3-methylpyrazol-1-yl)propyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-(3-methylpyrazol-1-yl)propyl]cyclohexanecarboxamide
PubChem CID19323903
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[3-(3-methylpyrazol-1-yl)propyl]cyclohexanecarboxamide
SMILESCc1ccn(CCCNC(=O)C2CCCCC2)n1
InChIInChI=1S/C14H23N3O/c1-12-8-11-17(16-12)10-5-9-15-14(18)13-6-3-2-4-7-13/h8,11,13H,2-7,9-10H2,1H3,(H,15,18)
InChIKeyRSYLGFHELFZANY-UHFFFAOYSA-N
XLogP2.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methylpyrazol-1-yl)ethyl]azetidine-3-carboxamide
CID 73439221
N-[3-(3-methylpyrazol-1-yl)propyl]butanamide
CID 19323910
1-[3-(3-methylpyrazol-1-yl)propyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 51389873
N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanecarboxamide
CID 35290168
1-(4-methylphenyl)-3-[3-(3-methylpyrazol-1-yl)propyl]thiourea
CID 19334364
N-[4-[2-(3-methylpyrazol-1-yl)ethylcarbamoyl]cyclohexyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 169410906
2,4-dichloro-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19323927
1-(6-chloro-1,3-benzoxazol-2-yl)-N-[2-(3-methylpyrazol-1-yl)ethyl]piperidine-4-carboxamide
CID 154567877
3,4-diethoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19297941
4-(difluoromethoxy)-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19323728
1-acetyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide
CID 72883089
3-methoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19297962

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylpyrazol-1-yl)propyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-(3-methylpyrazol-1-yl)propyl]cyclohexanecarboxamide (CID 19323903) is N-[3-(3-methylpyrazol-1-yl)propyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-(3-methylpyrazol-1-yl)propyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-(3-methylpyrazol-1-yl)propyl]cyclohexanecarboxamide is Cc1ccn(CCCNC(=O)C2CCCCC2)n1.
What is the InChIKey of N-[3-(3-methylpyrazol-1-yl)propyl]cyclohexanecarboxamide?
The InChIKey is RSYLGFHELFZANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-12-8-11-17(16-12)10-5-9-15-14(18)13-6-3-2-4-7-13/h8,11,13H,2-7,9-10H2,1H3,(H,15,18).
What are the key properties of N-[3-(3-methylpyrazol-1-yl)propyl]cyclohexanecarboxamide?
N-[3-(3-methylpyrazol-1-yl)propyl]cyclohexanecarboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylpyrazol-1-yl)propyl]cyclohexanecarboxamide is sourced from PubChem (CID 19323903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).