N-benzyl-2-methyl-N-(1-pyridin-3-ylpyrazol-4-yl)propanamide

C19H20N4O — CID 90359764

IUPACN-benzyl-2-methyl-N-(1-pyridin-3-ylpyrazol-4-yl)propanamide
SMILESCC(C)C(=O)N(Cc1ccccc1)c1cnn(-c2cccnc2)c1
InChIInChI=1S/C19H20N4O/c1-15(2)19(24)22(13-16-7-4-3-5-8-16)18-12-21-23(14-18)17-9-6-10-20-11-17/h3-12,14-15H,13H2,1-2H3
InChIKeyIGWHWGWYEDLUJP-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.46
Rot. Bonds5

About N-benzyl-2-methyl-N-(1-pyridin-3-ylpyrazol-4-yl)propanamide

N-benzyl-2-methyl-N-(1-pyridin-3-ylpyrazol-4-yl)propanamide (PubChem CID 90359764) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-benzyl-2-methyl-N-(1-pyridin-3-ylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-N-(1-pyridin-3-ylpyrazol-4-yl)propanamide
PubChem CID90359764
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-benzyl-2-methyl-N-(1-pyridin-3-ylpyrazol-4-yl)propanamide
SMILESCC(C)C(=O)N(Cc1ccccc1)c1cnn(-c2cccnc2)c1
InChIInChI=1S/C19H20N4O/c1-15(2)19(24)22(13-16-7-4-3-5-8-16)18-12-21-23(14-18)17-9-6-10-20-11-17/h3-12,14-15H,13H2,1-2H3
InChIKeyIGWHWGWYEDLUJP-UHFFFAOYSA-N
XLogP3.46
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-methyl-N-(1-pyridin-3-ylpyrazol-4-yl)but-3-enamide
CID 123840184
1-(1-phenylpyrazol-4-yl)-2-pyridin-3-ylethanone
CID 105127838
tert-butyl N-methyl-N-(1-pyridin-3-ylpyrazol-4-yl)carbamate
CID 67499598
2-cyclopropyl-N-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 110613046
[(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 1-pyridin-3-ylpyrazole-4-carboxylate
CID 99799842
N-benzyl-2-methyl-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]propanamide
CID 133148944
N-benzyl-5-oxo-N-propan-2-yl-1-pyridin-3-ylpyrrolidine-3-carboxamide
CID 110684524
N-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756627
cyclohexane;[2-[(propan-2-ylamino)methyl]phenyl]-(pyridin-3-ylmethyl)carbamic acid
CID 71147510
3-(2-methylpropyl)-1-phenyl-1-(pyridin-3-ylmethyl)urea
CID 110426401
pyridin-3-ylmethyl 1-phenylpyrazole-4-carboxylate
CID 75485194
(2R)-2-amino-N-benzyl-N-phenylpropanamide
CID 54996061

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-N-(1-pyridin-3-ylpyrazol-4-yl)propanamide?
The IUPAC name of N-benzyl-2-methyl-N-(1-pyridin-3-ylpyrazol-4-yl)propanamide (CID 90359764) is N-benzyl-2-methyl-N-(1-pyridin-3-ylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-benzyl-2-methyl-N-(1-pyridin-3-ylpyrazol-4-yl)propanamide?
The canonical SMILES for N-benzyl-2-methyl-N-(1-pyridin-3-ylpyrazol-4-yl)propanamide is CC(C)C(=O)N(Cc1ccccc1)c1cnn(-c2cccnc2)c1.
What is the InChIKey of N-benzyl-2-methyl-N-(1-pyridin-3-ylpyrazol-4-yl)propanamide?
The InChIKey is IGWHWGWYEDLUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-15(2)19(24)22(13-16-7-4-3-5-8-16)18-12-21-23(14-18)17-9-6-10-20-11-17/h3-12,14-15H,13H2,1-2H3.
What are the key properties of N-benzyl-2-methyl-N-(1-pyridin-3-ylpyrazol-4-yl)propanamide?
N-benzyl-2-methyl-N-(1-pyridin-3-ylpyrazol-4-yl)propanamide has a molecular weight of 320.40 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-N-(1-pyridin-3-ylpyrazol-4-yl)propanamide is sourced from PubChem (CID 90359764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).