N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(pyrrolidine-1-carbonyl)benzamide

C19H24N4O2 — CID 171352339

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-4-(pyrrolidine-1-carbonyl)benzamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccc(C(=O)N3CCCC3)cc2)n[nH]1
InChIInChI=1S/C19H24N4O2/c1-19(2,3)15-12-16(22-21-15)20-17(24)13-6-8-14(9-7-13)18(25)23-10-4-5-11-23/h6-9,12H,4-5,10-11H2,1-3H3,(H2,20,21,22,24)
InChIKeyWYPUQCKVZOCBBU-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.20
Rot. Bonds3

About N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(pyrrolidine-1-carbonyl)benzamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(pyrrolidine-1-carbonyl)benzamide (PubChem CID 171352339) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(pyrrolidine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-4-(pyrrolidine-1-carbonyl)benzamide
PubChem CID171352339
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-4-(pyrrolidine-1-carbonyl)benzamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccc(C(=O)N3CCCC3)cc2)n[nH]1
InChIInChI=1S/C19H24N4O2/c1-19(2,3)15-12-16(22-21-15)20-17(24)13-6-8-14(9-7-13)18(25)23-10-4-5-11-23/h6-9,12H,4-5,10-11H2,1-3H3,(H2,20,21,22,24)
InChIKeyWYPUQCKVZOCBBU-UHFFFAOYSA-N
XLogP3.20
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(hydroxymethyl)benzamide
CID 104620011
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 115589899
N-(5-tert-butyl-1H-pyrazol-3-yl)furan-3-carboxamide
CID 47343702
N-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044308
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-chloro-3-methylbenzamide
CID 115694776
(5-tert-butyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone
CID 110848778
4-amino-3-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzamide
CID 104618642
N-(5-tert-butyl-1H-pyrazol-3-yl)-9-oxofluorene-2-carboxamide
CID 55977209
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
4-(azepane-1-carbonyl)-N-tert-butylbenzamide
CID 48845413
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylpiperidine-1-carboxamide
CID 104620483
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 104619986

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(pyrrolidine-1-carbonyl)benzamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(pyrrolidine-1-carbonyl)benzamide (CID 171352339) is N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(pyrrolidine-1-carbonyl)benzamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(pyrrolidine-1-carbonyl)benzamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(pyrrolidine-1-carbonyl)benzamide is CC(C)(C)c1cc(NC(=O)c2ccc(C(=O)N3CCCC3)cc2)n[nH]1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(pyrrolidine-1-carbonyl)benzamide?
The InChIKey is WYPUQCKVZOCBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-19(2,3)15-12-16(22-21-15)20-17(24)13-6-8-14(9-7-13)18(25)23-10-4-5-11-23/h6-9,12H,4-5,10-11H2,1-3H3,(H2,20,21,22,24).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(pyrrolidine-1-carbonyl)benzamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(pyrrolidine-1-carbonyl)benzamide has a molecular weight of 340.43 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(pyrrolidine-1-carbonyl)benzamide is sourced from PubChem (CID 171352339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).