4-chloro-N-(3-imidazol-1-ylpropyl)-1,5-dimethylpyrazole-3-carboxamide

C12H16ClN5O — CID 39854333

IUPAC4-chloro-N-(3-imidazol-1-ylpropyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1c(Cl)c(C(=O)NCCCn2ccnc2)nn1C
InChIInChI=1S/C12H16ClN5O/c1-9-10(13)11(16-17(9)2)12(19)15-4-3-6-18-7-5-14-8-18/h5,7-8H,3-4,6H2,1-2H3,(H,15,19)
InChIKeyDYHUIWDTNKKSKL-UHFFFAOYSA-N
MW281.75 g/mol
LogP1.40
Rot. Bonds5

About 4-chloro-N-(3-imidazol-1-ylpropyl)-1,5-dimethylpyrazole-3-carboxamide

4-chloro-N-(3-imidazol-1-ylpropyl)-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 39854333) has the molecular formula C12H16ClN5O and a molecular weight of 281.75 g/mol. Its IUPAC name is 4-chloro-N-(3-imidazol-1-ylpropyl)-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-imidazol-1-ylpropyl)-1,5-dimethylpyrazole-3-carboxamide
PubChem CID39854333
Molecular FormulaC12H16ClN5O
Molecular Weight281.75 g/mol
Exact Mass281.10
IUPAC Name4-chloro-N-(3-imidazol-1-ylpropyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1c(Cl)c(C(=O)NCCCn2ccnc2)nn1C
InChIInChI=1S/C12H16ClN5O/c1-9-10(13)11(16-17(9)2)12(19)15-4-3-6-18-7-5-14-8-18/h5,7-8H,3-4,6H2,1-2H3,(H,15,19)
InChIKeyDYHUIWDTNKKSKL-UHFFFAOYSA-N
XLogP1.40
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-chloro-N-(3-imidazol-1-ylpropyl)-1,5-dimethylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-imidazol-1-ylpropyl)-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-(3-imidazol-1-ylpropyl)-1,5-dimethylpyrazole-3-carboxamide (CID 39854333) is 4-chloro-N-(3-imidazol-1-ylpropyl)-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-imidazol-1-ylpropyl)-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-(3-imidazol-1-ylpropyl)-1,5-dimethylpyrazole-3-carboxamide is Cc1c(Cl)c(C(=O)NCCCn2ccnc2)nn1C.
What is the InChIKey of 4-chloro-N-(3-imidazol-1-ylpropyl)-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is DYHUIWDTNKKSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O/c1-9-10(13)11(16-17(9)2)12(19)15-4-3-6-18-7-5-14-8-18/h5,7-8H,3-4,6H2,1-2H3,(H,15,19).
What are the key properties of 4-chloro-N-(3-imidazol-1-ylpropyl)-1,5-dimethylpyrazole-3-carboxamide?
4-chloro-N-(3-imidazol-1-ylpropyl)-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 281.75 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-imidazol-1-ylpropyl)-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 39854333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).