N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide

C16H21N7O — CID 131943793

IUPACN-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nc(C)n(CCCNC(=O)c2cc(-c3cccn3C)n[nH]2)n1
InChIInChI=1S/C16H21N7O/c1-11-18-12(2)23(21-11)9-5-7-17-16(24)14-10-13(19-20-14)15-6-4-8-22(15)3/h4,6,8,10H,5,7,9H2,1-3H3,(H,17,24)(H,19,20)
InChIKeyNCMFJSPHGWQPHJ-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.44
Rot. Bonds6

About N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide

N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide (PubChem CID 131943793) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
PubChem CID131943793
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC NameN-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nc(C)n(CCCNC(=O)c2cc(-c3cccn3C)n[nH]2)n1
InChIInChI=1S/C16H21N7O/c1-11-18-12(2)23(21-11)9-5-7-17-16(24)14-10-13(19-20-14)15-6-4-8-22(15)3/h4,6,8,10H,5,7,9H2,1-3H3,(H,17,24)(H,19,20)
InChIKeyNCMFJSPHGWQPHJ-UHFFFAOYSA-N
XLogP1.44
TPSA93.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-benzylsulfanylpropyl)-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
CID 131935860
N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
CID 131949734
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 91793548
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide
CID 157015268
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-fluoro-2-hydroxybenzamide
CID 91777209
ethane;3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxylic acid
CID 143757787
N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19513158
methyl (E)-4-[[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]amino]but-2-enoate
CID 118667842
3,5-dichloro-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methylbenzamide
CID 72896651
3-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide
CID 19509582
3-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 19513164
3-(4-methylphenyl)-N-[3-(2-oxo-1-pyridinyl)propyl]-1H-pyrazole-5-carboxamide
CID 119066173

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide (CID 131943793) is N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide is Cc1nc(C)n(CCCNC(=O)c2cc(-c3cccn3C)n[nH]2)n1.
What is the InChIKey of N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is NCMFJSPHGWQPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O/c1-11-18-12(2)23(21-11)9-5-7-17-16(24)14-10-13(19-20-14)15-6-4-8-22(15)3/h4,6,8,10H,5,7,9H2,1-3H3,(H,17,24)(H,19,20).
What are the key properties of N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide?
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 131943793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).