3-methyl-N-[4-[(3-methylpyrazole-1-carbonyl)amino]butyl]pyrazole-1-carboxamide

C14H20N6O2 — CID 3073192

IUPAC3-methyl-N-[4-[(3-methylpyrazole-1-carbonyl)amino]butyl]pyrazole-1-carboxamide
SMILESCc1ccn(C(=O)NCCCCNC(=O)n2ccc(C)n2)n1
InChIInChI=1S/C14H20N6O2/c1-11-5-9-19(17-11)13(21)15-7-3-4-8-16-14(22)20-10-6-12(2)18-20/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,15,21)(H,16,22)
InChIKeyWJIOHMVWGVGWJW-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.29
Rot. Bonds5

About 3-methyl-N-[4-[(3-methylpyrazole-1-carbonyl)amino]butyl]pyrazole-1-carboxamide

3-methyl-N-[4-[(3-methylpyrazole-1-carbonyl)amino]butyl]pyrazole-1-carboxamide (PubChem CID 3073192) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-methyl-N-[4-[(3-methylpyrazole-1-carbonyl)amino]butyl]pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-[(3-methylpyrazole-1-carbonyl)amino]butyl]pyrazole-1-carboxamide
PubChem CID3073192
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name3-methyl-N-[4-[(3-methylpyrazole-1-carbonyl)amino]butyl]pyrazole-1-carboxamide
SMILESCc1ccn(C(=O)NCCCCNC(=O)n2ccc(C)n2)n1
InChIInChI=1S/C14H20N6O2/c1-11-5-9-19(17-11)13(21)15-7-3-4-8-16-14(22)20-10-6-12(2)18-20/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,15,21)(H,16,22)
InChIKeyWJIOHMVWGVGWJW-UHFFFAOYSA-N
XLogP1.29
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.29
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

3(or 5)-Methyl-1H-pyrazole-1-carboxamide
CID 242452
1H-Pyrazole-1-carboxamide, N,N'-1,6-hexanediylbis(3(or 5)-methyl-
CID 3073191
1H-Pyrazole-1-carboxamide, N-(6-chlorohexyl)-3-methyl-
CID 175541
1,1'-Methylenebis(3-methyl-1H-pyrazole)
CID 15210309
N-hexyl-3-(trifluoromethyl)pyrazole-1-carboxamide
CID 132597454
N-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-N'-[(1-methyl-1H-pyrazol-4-yl)methyl]urea
CID 118762532
5-Methyl-1-(pyrazol-1-ylmethyl)pyrazole
CID 10351992
N-hexyl-3-methylpyrazole-1-carboxamide
CID 15918564
N-hexyl-5-methylpyrazole-1-carboxamide
CID 134862037
1H-Pyrazole-1-carboxamide, N-(6-chlorohexyl)-5-methyl-
CID 184197
N1-(tert-butyl)-3-(trifluoromethyl)-1H-pyrazole-1-carboxamide
CID 2780397
5-Methyl-1-[(5-methylpyrazol-1-yl)methyl]pyrazole
CID 10103693

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[(3-methylpyrazole-1-carbonyl)amino]butyl]pyrazole-1-carboxamide?
The IUPAC name of 3-methyl-N-[4-[(3-methylpyrazole-1-carbonyl)amino]butyl]pyrazole-1-carboxamide (CID 3073192) is 3-methyl-N-[4-[(3-methylpyrazole-1-carbonyl)amino]butyl]pyrazole-1-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-[(3-methylpyrazole-1-carbonyl)amino]butyl]pyrazole-1-carboxamide?
The canonical SMILES for 3-methyl-N-[4-[(3-methylpyrazole-1-carbonyl)amino]butyl]pyrazole-1-carboxamide is Cc1ccn(C(=O)NCCCCNC(=O)n2ccc(C)n2)n1.
What is the InChIKey of 3-methyl-N-[4-[(3-methylpyrazole-1-carbonyl)amino]butyl]pyrazole-1-carboxamide?
The InChIKey is WJIOHMVWGVGWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-11-5-9-19(17-11)13(21)15-7-3-4-8-16-14(22)20-10-6-12(2)18-20/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,15,21)(H,16,22).
What are the key properties of 3-methyl-N-[4-[(3-methylpyrazole-1-carbonyl)amino]butyl]pyrazole-1-carboxamide?
3-methyl-N-[4-[(3-methylpyrazole-1-carbonyl)amino]butyl]pyrazole-1-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[(3-methylpyrazole-1-carbonyl)amino]butyl]pyrazole-1-carboxamide is sourced from PubChem (CID 3073192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).