N-(5-butyl-1H-pyrazol-3-yl)-4-[(1-methylpyrazol-3-yl)amino]benzamide

C18H22N6O — CID 166244743

IUPACN-(5-butyl-1H-pyrazol-3-yl)-4-[(1-methylpyrazol-3-yl)amino]benzamide
SMILESCCCCc1cc(NC(=O)c2ccc(Nc3ccn(C)n3)cc2)n[nH]1
InChIInChI=1S/C18H22N6O/c1-3-4-5-15-12-17(22-21-15)20-18(25)13-6-8-14(9-7-13)19-16-10-11-24(2)23-16/h6-12H,3-5H2,1-2H3,(H,19,23)(H2,20,21,22,25)
InChIKeyACGZOLQBTRKUKJ-UHFFFAOYSA-N
MW338.42 g/mol
LogP3.48
Rot. Bonds7

About N-(5-butyl-1H-pyrazol-3-yl)-4-[(1-methylpyrazol-3-yl)amino]benzamide

N-(5-butyl-1H-pyrazol-3-yl)-4-[(1-methylpyrazol-3-yl)amino]benzamide (PubChem CID 166244743) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is N-(5-butyl-1H-pyrazol-3-yl)-4-[(1-methylpyrazol-3-yl)amino]benzamide.

Molecular Properties

Compound NameN-(5-butyl-1H-pyrazol-3-yl)-4-[(1-methylpyrazol-3-yl)amino]benzamide
PubChem CID166244743
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC NameN-(5-butyl-1H-pyrazol-3-yl)-4-[(1-methylpyrazol-3-yl)amino]benzamide
SMILESCCCCc1cc(NC(=O)c2ccc(Nc3ccn(C)n3)cc2)n[nH]1
InChIInChI=1S/C18H22N6O/c1-3-4-5-15-12-17(22-21-15)20-18(25)13-6-8-14(9-7-13)19-16-10-11-24(2)23-16/h6-12H,3-5H2,1-2H3,(H,19,23)(H2,20,21,22,25)
InChIKeyACGZOLQBTRKUKJ-UHFFFAOYSA-N
XLogP3.48
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 167828947
4-(hydroxymethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104619750
4-propan-2-yl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115619793
4-(carbamoylamino)-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 115593799
3-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrazole-5-carboxamide
CID 104616226
N-(6-amino-2-oxo-1H-pyrimidin-5-yl)-4-[(1-methylpyrazol-3-yl)amino]benzamide
CID 167831806
4-[(4-fluorophenyl)sulfamoyl]-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 166179203
1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide
CID 112690410
1,3-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)pyrazole-4-carboxamide
CID 113235417
4-fluoro-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115621244
N-(5-butyl-1H-pyrazol-3-yl)-2-chloro-3-fluoropyridine-4-carboxamide
CID 75394847
4-methyl-N-(1-methylpyrazol-3-yl)benzamide
CID 4865337

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1H-pyrazol-3-yl)-4-[(1-methylpyrazol-3-yl)amino]benzamide?
The IUPAC name of N-(5-butyl-1H-pyrazol-3-yl)-4-[(1-methylpyrazol-3-yl)amino]benzamide (CID 166244743) is N-(5-butyl-1H-pyrazol-3-yl)-4-[(1-methylpyrazol-3-yl)amino]benzamide.
What is the SMILES notation for N-(5-butyl-1H-pyrazol-3-yl)-4-[(1-methylpyrazol-3-yl)amino]benzamide?
The canonical SMILES for N-(5-butyl-1H-pyrazol-3-yl)-4-[(1-methylpyrazol-3-yl)amino]benzamide is CCCCc1cc(NC(=O)c2ccc(Nc3ccn(C)n3)cc2)n[nH]1.
What is the InChIKey of N-(5-butyl-1H-pyrazol-3-yl)-4-[(1-methylpyrazol-3-yl)amino]benzamide?
The InChIKey is ACGZOLQBTRKUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-3-4-5-15-12-17(22-21-15)20-18(25)13-6-8-14(9-7-13)19-16-10-11-24(2)23-16/h6-12H,3-5H2,1-2H3,(H,19,23)(H2,20,21,22,25).
What are the key properties of N-(5-butyl-1H-pyrazol-3-yl)-4-[(1-methylpyrazol-3-yl)amino]benzamide?
N-(5-butyl-1H-pyrazol-3-yl)-4-[(1-methylpyrazol-3-yl)amino]benzamide has a molecular weight of 338.42 g/mol, XLogP of 3.48, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1H-pyrazol-3-yl)-4-[(1-methylpyrazol-3-yl)amino]benzamide is sourced from PubChem (CID 166244743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).