N-(3-imidazol-1-ylpropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide

C15H18N6O — CID 47028243

IUPACN-(3-imidazol-1-ylpropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCCCn2ccnc2)c1-n1cccc1
InChIInChI=1S/C15H18N6O/c1-19-15(21-8-2-3-9-21)13(11-18-19)14(22)17-5-4-7-20-10-6-16-12-20/h2-3,6,8-12H,4-5,7H2,1H3,(H,17,22)
InChIKeyCFGLSDQEJDNHMD-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.23
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide

N-(3-imidazol-1-ylpropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 47028243) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID47028243
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC NameN-(3-imidazol-1-ylpropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCCCn2ccnc2)c1-n1cccc1
InChIInChI=1S/C15H18N6O/c1-19-15(21-8-2-3-9-21)13(11-18-19)14(22)17-5-4-7-20-10-6-16-12-20/h2-3,6,8-12H,4-5,7H2,1H3,(H,17,22)
InChIKeyCFGLSDQEJDNHMD-UHFFFAOYSA-N
XLogP1.23
TPSA69.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 86923114
N-(3-butoxypropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38028641
1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 39888789
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023
N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide
CID 3274730
N-(3-imidazol-1-ylpropyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63998273
N-(3-imidazol-1-ylpropyl)-2-methyl-5-sulfanylbenzamide
CID 107022178
2-(dimethylamino)-N-(3-imidazol-1-ylpropyl)benzamide
CID 110463562
3-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 66463625
N-(3-imidazol-1-ylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 55134426
N-(3-imidazol-1-ylpropyl)-2-methylfuran-3-carboxamide
CID 3766728
N-(3-imidazol-1-ylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474998

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 47028243) is N-(3-imidazol-1-ylpropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide is Cn1ncc(C(=O)NCCCn2ccnc2)c1-n1cccc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is CFGLSDQEJDNHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-19-15(21-8-2-3-9-21)13(11-18-19)14(22)17-5-4-7-20-10-6-16-12-20/h2-3,6,8-12H,4-5,7H2,1H3,(H,17,22).
What are the key properties of N-(3-imidazol-1-ylpropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-(3-imidazol-1-ylpropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 47028243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).