N-propyl-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide

C18H18N4O — CID 58302750

IUPACN-propyl-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide
SMILESCCCNC(=O)c1cccc(-c2[nH]ncc2-c2ccncc2)c1
InChIInChI=1S/C18H18N4O/c1-2-8-20-18(23)15-5-3-4-14(11-15)17-16(12-21-22-17)13-6-9-19-10-7-13/h3-7,9-12H,2,8H2,1H3,(H,20,23)(H,21,22)
InChIKeyWWAUKXCTIRDTKY-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.28
Rot. Bonds5

About N-propyl-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide

N-propyl-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide (PubChem CID 58302750) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-propyl-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-propyl-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide
PubChem CID58302750
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-propyl-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide
SMILESCCCNC(=O)c1cccc(-c2[nH]ncc2-c2ccncc2)c1
InChIInChI=1S/C18H18N4O/c1-2-8-20-18(23)15-5-3-4-14(11-15)17-16(12-21-22-17)13-6-9-19-10-7-13/h3-7,9-12H,2,8H2,1H3,(H,20,23)(H,21,22)
InChIKeyWWAUKXCTIRDTKY-UHFFFAOYSA-N
XLogP3.28
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide
CID 58302741
N-(4-chlorophenyl)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide
CID 44622677
1-methyl-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea
CID 67185993
N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide
CID 67188011
3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-ethylbenzamide
CID 162276236
4-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 22037203
1-(4-tert-butylphenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea
CID 44621736
N-methyl-N-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]methyl]-4-(trifluoromethyl)benzamide
CID 69087224
3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 119382339
4-(ethoxymethyl)-N-[[3-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide
CID 95805509
1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide
CID 69320035
3-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyridine
CID 3321413

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide?
The IUPAC name of N-propyl-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide (CID 58302750) is N-propyl-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for N-propyl-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide?
The canonical SMILES for N-propyl-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide is CCCNC(=O)c1cccc(-c2[nH]ncc2-c2ccncc2)c1.
What is the InChIKey of N-propyl-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide?
The InChIKey is WWAUKXCTIRDTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-2-8-20-18(23)15-5-3-4-14(11-15)17-16(12-21-22-17)13-6-9-19-10-7-13/h3-7,9-12H,2,8H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-propyl-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide?
N-propyl-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide has a molecular weight of 306.37 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 58302750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).