N-benzyl-1-methyl-N-[(1R)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide

C19H20N4O — CID 95324134

IUPACN-benzyl-1-methyl-N-[(1R)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide
SMILESC[C@H](c1ccccn1)N(Cc1ccccc1)C(=O)c1cnn(C)c1
InChIInChI=1S/C19H20N4O/c1-15(18-10-6-7-11-20-18)23(13-16-8-4-3-5-9-16)19(24)17-12-21-22(2)14-17/h3-12,14-15H,13H2,1-2H3/t15-/m1/s1
InChIKeyLSPSZTQRDZANPG-OAHLLOKOSA-N
MW320.40 g/mol
LogP3.22
Rot. Bonds5

About N-benzyl-1-methyl-N-[(1R)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide

N-benzyl-1-methyl-N-[(1R)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide (PubChem CID 95324134) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-benzyl-1-methyl-N-[(1R)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-methyl-N-[(1R)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide
PubChem CID95324134
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-benzyl-1-methyl-N-[(1R)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide
SMILESC[C@H](c1ccccn1)N(Cc1ccccc1)C(=O)c1cnn(C)c1
InChIInChI=1S/C19H20N4O/c1-15(18-10-6-7-11-20-18)23(13-16-8-4-3-5-9-16)19(24)17-12-21-22(2)14-17/h3-12,14-15H,13H2,1-2H3/t15-/m1/s1
InChIKeyLSPSZTQRDZANPG-OAHLLOKOSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-dibenzyl-5-methyl-N-(1-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 86897660
N-benzyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(1-pyridin-2-ylethyl)benzamide
CID 86898588
N-[3-[benzyl(1-pyridin-2-ylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 86897663
N-benzyl-N-propan-2-ylpyridine-2-carboxamide
CID 42778097
1-benzyl-3-(1-methoxypropan-2-yl)-1-(1-pyridin-2-ylethyl)urea
CID 56782733
formic acid;3-[4-[[methyl(1-pyridin-2-ylethyl)amino]methyl]pyrazol-1-yl]propanoic acid
CID 171687066
N-[(1-methylpyrazol-4-yl)methyl]-4-oxo-4-phenyl-N-propan-2-ylbutanamide
CID 51090804
(2S)-2-[benzyl(methyl)amino]-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 95772431
N-benzyl-1-(2,4-difluorophenyl)-5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 86897676
2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrazol-4-yl)ethanone
CID 170711377
N-fluoro-1-methyl-N-[(2-propan-2-ylphenyl)methyl]pyrazole-4-carboxamide
CID 129078811
N-benzyl-N-[2-(butylamino)-2-oxo-1-pyridin-2-ylethyl]-4-methoxybenzamide
CID 166334131

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-methyl-N-[(1R)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide?
The IUPAC name of N-benzyl-1-methyl-N-[(1R)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide (CID 95324134) is N-benzyl-1-methyl-N-[(1R)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-benzyl-1-methyl-N-[(1R)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide?
The canonical SMILES for N-benzyl-1-methyl-N-[(1R)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide is C[C@H](c1ccccn1)N(Cc1ccccc1)C(=O)c1cnn(C)c1.
What is the InChIKey of N-benzyl-1-methyl-N-[(1R)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide?
The InChIKey is LSPSZTQRDZANPG-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20N4O/c1-15(18-10-6-7-11-20-18)23(13-16-8-4-3-5-9-16)19(24)17-12-21-22(2)14-17/h3-12,14-15H,13H2,1-2H3/t15-/m1/s1.
What are the key properties of N-benzyl-1-methyl-N-[(1R)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide?
N-benzyl-1-methyl-N-[(1R)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-methyl-N-[(1R)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 95324134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).