2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide

C16H24ClN5O — CID 19537924

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide
SMILESCc1cc(C)n(CCCNC(=O)C(C)n2nc(C)c(Cl)c2C)n1
InChIInChI=1S/C16H24ClN5O/c1-10-9-11(2)21(19-10)8-6-7-18-16(23)14(5)22-13(4)15(17)12(3)20-22/h9,14H,6-8H2,1-5H3,(H,18,23)
InChIKeyRIVPWYQPFSPMOW-UHFFFAOYSA-N
MW337.86 g/mol
LogP2.73
Rot. Bonds6

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide (PubChem CID 19537924) has the molecular formula C16H24ClN5O and a molecular weight of 337.86 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide
PubChem CID19537924
Molecular FormulaC16H24ClN5O
Molecular Weight337.86 g/mol
Exact Mass337.17
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide
SMILESCc1cc(C)n(CCCNC(=O)C(C)n2nc(C)c(Cl)c2C)n1
InChIInChI=1S/C16H24ClN5O/c1-10-9-11(2)21(19-10)8-6-7-18-16(23)14(5)22-13(4)15(17)12(3)20-22/h9,14H,6-8H2,1-5H3,(H,18,23)
InChIKeyRIVPWYQPFSPMOW-UHFFFAOYSA-N
XLogP2.73
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.86
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 115571202
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(4-methylpyrazol-1-yl)propyl]propanamide
CID 19328178
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534766
2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]propanamide
CID 114538986
1-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiourea
CID 19573251
2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,3-dimethylbutanamide
CID 115750968
2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-N-methylpropanamide
CID 115573484
1-butyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 19332430
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide
CID 19535072
3,4-dichloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 30954663
5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpentanamide
CID 114536632

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide (CID 19537924) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide is Cc1cc(C)n(CCCNC(=O)C(C)n2nc(C)c(Cl)c2C)n1.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide?
The InChIKey is RIVPWYQPFSPMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN5O/c1-10-9-11(2)21(19-10)8-6-7-18-16(23)14(5)22-13(4)15(17)12(3)20-22/h9,14H,6-8H2,1-5H3,(H,18,23).
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide has a molecular weight of 337.86 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide is sourced from PubChem (CID 19537924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).