4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide

C20H24N4O — CID 47063377

IUPAC4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
SMILESCC1=NN(c2ccc(C(=O)N(Cc3ccccn3)C(C)C)cc2)CC1
InChIInChI=1S/C20H24N4O/c1-15(2)23(14-18-6-4-5-12-21-18)20(25)17-7-9-19(10-8-17)24-13-11-16(3)22-24/h4-10,12,15H,11,13-14H2,1-3H3
InChIKeyBTTGSQOOSWBNME-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.72
Rot. Bonds5

About 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide

4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 47063377) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
PubChem CID47063377
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
SMILESCC1=NN(c2ccc(C(=O)N(Cc3ccccn3)C(C)C)cc2)CC1
InChIInChI=1S/C20H24N4O/c1-15(2)23(14-18-6-4-5-12-21-18)20(25)17-7-9-19(10-8-17)24-13-11-16(3)22-24/h4-10,12,15H,11,13-14H2,1-3H3
InChIKeyBTTGSQOOSWBNME-UHFFFAOYSA-N
XLogP3.72
TPSA48.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 60956029
4-bromo-3-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 80974170
3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)but-2-enamide
CID 51088401
5-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide
CID 107909493
cis-(1S,2R)-2-[propan-2-yl(pyridin-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93378868
N-propan-2-yl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 61036038
1-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)cyclopentane-1-carboxamide
CID 54872425
4-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 63103234
4-amino-1-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 61109144
2-bromo-5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 80974171
cis-(1S,2R)-2-methyl-N-[3-oxo-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propyl]cyclopropane-1-carboxamide
CID 94625593
2-bromo-2-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 114328230

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide (CID 47063377) is 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide is CC1=NN(c2ccc(C(=O)N(Cc3ccccn3)C(C)C)cc2)CC1.
What is the InChIKey of 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is BTTGSQOOSWBNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-15(2)23(14-18-6-4-5-12-21-18)20(25)17-7-9-19(10-8-17)24-13-11-16(3)22-24/h4-10,12,15H,11,13-14H2,1-3H3.
What are the key properties of 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide?
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 336.44 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 47063377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).