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

C12H16ClN5O — CID 4772684

IUPAC4-chloro-N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NCCCn2ccnc2)c1Cl
InChIInChI=1S/C12H16ClN5O/c1-9-10(13)11(17(2)16-9)12(19)15-4-3-6-18-7-5-14-8-18/h5,7-8H,3-4,6H2,1-2H3,(H,15,19)
InChIKeyYXLPBPVJWZWWIN-UHFFFAOYSA-N
MW281.75 g/mol
LogP1.40
Rot. Bonds5

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

4-chloro-N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 4772684) 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)-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazole-5-carboxamide
PubChem CID4772684
Molecular FormulaC12H16ClN5O
Molecular Weight281.75 g/mol
Exact Mass281.10
IUPAC Name4-chloro-N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NCCCn2ccnc2)c1Cl
InChIInChI=1S/C12H16ClN5O/c1-9-10(13)11(17(2)16-9)12(19)15-4-3-6-18-7-5-14-8-18/h5,7-8H,3-4,6H2,1-2H3,(H,15,19)
InChIKeyYXLPBPVJWZWWIN-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'}

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Related Compounds

4-amino-N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66122214
4-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-5-carboxamide
CID 19476931
4-chloro-N-hexyl-1,3-dimethylpyrazole-5-carboxamide
CID 19476881
N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 47447578
4-chloro-N-(3-ethoxypropyl)-1,3-dimethylpyrazole-5-carboxamide
CID 19477120
3-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 66463625
5-amino-2,3-dichloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 107183495
N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide
CID 3274730
2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide
CID 47068478
3-tert-butyl-N-(3-imidazol-1-ylpropyl)-1-methylpyrazole-5-carboxamide
CID 87023626
N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30403008
N-(3-imidazol-1-ylpropyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63998273

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazole-5-carboxamide (CID 4772684) is 4-chloro-N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazole-5-carboxamide is Cc1nn(C)c(C(=O)NCCCn2ccnc2)c1Cl.
What is the InChIKey of 4-chloro-N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is YXLPBPVJWZWWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O/c1-9-10(13)11(17(2)16-9)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)-1,3-dimethylpyrazole-5-carboxamide?
4-chloro-N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazole-5-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)-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 4772684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).