2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]propanamide

C12H19ClN4O2 — CID 114538986

IUPAC2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]propanamide
SMILESCc1cc(C)n(CCCNC(=O)NC(=O)C(C)Cl)n1
InChIInChI=1S/C12H19ClN4O2/c1-8-7-9(2)17(16-8)6-4-5-14-12(19)15-11(18)10(3)13/h7,10H,4-6H2,1-3H3,(H2,14,15,18,19)
InChIKeyVWAJDSLJUWPSKW-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.34
Rot. Bonds5

About 2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]propanamide

2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]propanamide (PubChem CID 114538986) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]propanamide
PubChem CID114538986
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC Name2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]propanamide
SMILESCc1cc(C)n(CCCNC(=O)NC(=O)C(C)Cl)n1
InChIInChI=1S/C12H19ClN4O2/c1-8-7-9(2)17(16-8)6-4-5-14-12(19)15-11(18)10(3)13/h7,10H,4-6H2,1-3H3,(H2,14,15,18,19)
InChIKeyVWAJDSLJUWPSKW-UHFFFAOYSA-N
XLogP1.34
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 115571202
1-butyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 19332430
2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]acetic acid
CID 113363032
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[3-(2-methylpropoxy)propyl]urea
CID 78880670
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide
CID 19537924
2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,3-dimethylbutanamide
CID 115750968
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[2-(methanesulfonamido)ethyl]urea
CID 86993163
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534766
2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-N-methylpropanamide
CID 115573484
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(2-methyl-1-phenylpropyl)urea
CID 86999484
5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpentanamide
CID 114536632

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]propanamide?
The IUPAC name of 2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]propanamide (CID 114538986) is 2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]propanamide.
What is the SMILES notation for 2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]propanamide?
The canonical SMILES for 2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]propanamide is Cc1cc(C)n(CCCNC(=O)NC(=O)C(C)Cl)n1.
What is the InChIKey of 2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]propanamide?
The InChIKey is VWAJDSLJUWPSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O2/c1-8-7-9(2)17(16-8)6-4-5-14-12(19)15-11(18)10(3)13/h7,10H,4-6H2,1-3H3,(H2,14,15,18,19).
What are the key properties of 2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]propanamide?
2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]propanamide has a molecular weight of 286.76 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]propanamide is sourced from PubChem (CID 114538986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).