N-(3-imidazol-1-ylpropyl)-5-methyl-1H-pyrazole-4-carboxamide

C11H15N5O — CID 63998273

IUPACN-(3-imidazol-1-ylpropyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NCCCn1ccnc1
InChIInChI=1S/C11H15N5O/c1-9-10(7-14-15-9)11(17)13-3-2-5-16-6-4-12-8-16/h4,6-8H,2-3,5H2,1H3,(H,13,17)(H,14,15)
InChIKeyXCSSCTLIFACVQA-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.73
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)-5-methyl-1H-pyrazole-4-carboxamide

N-(3-imidazol-1-ylpropyl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 63998273) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID63998273
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC NameN-(3-imidazol-1-ylpropyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NCCCn1ccnc1
InChIInChI=1S/C11H15N5O/c1-9-10(7-14-15-9)11(17)13-3-2-5-16-6-4-12-8-16/h4,6-8H,2-3,5H2,1H3,(H,13,17)(H,14,15)
InChIKeyXCSSCTLIFACVQA-UHFFFAOYSA-N
XLogP0.73
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-fluorophenyl)-N-(4-imidazol-1-ylbutyl)-1H-pyrazole-4-carboxamide
CID 75378535
5-(2-chlorophenyl)-N-(4-imidazol-1-ylbutyl)-1H-pyrazole-4-carboxamide
CID 75378536
N-(4-imidazol-1-ylbutyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 47558539
N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide
CID 3274730
N-(3-imidazol-1-ylpropyl)-2-methylfuran-3-carboxamide
CID 3766728
4-amino-N-(4-imidazol-1-ylbutyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62081438
N-(3-imidazol-1-ylpropyl)-2-methyl-5-sulfanylbenzamide
CID 107022178
5-bromo-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide
CID 65307454
N-(3-iodopropyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 114504025
3-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 66463625
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023
N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 107318827

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-5-methyl-1H-pyrazole-4-carboxamide (CID 63998273) is N-(3-imidazol-1-ylpropyl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is XCSSCTLIFACVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-9-10(7-14-15-9)11(17)13-3-2-5-16-6-4-12-8-16/h4,6-8H,2-3,5H2,1H3,(H,13,17)(H,14,15).
What are the key properties of N-(3-imidazol-1-ylpropyl)-5-methyl-1H-pyrazole-4-carboxamide?
N-(3-imidazol-1-ylpropyl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 233.28 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 63998273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).