N,1-dibenzyl-5-methyl-N-(1-pyridin-2-ylethyl)pyrazole-4-carboxamide

C26H26N4O — CID 86897660

IUPACN,1-dibenzyl-5-methyl-N-(1-pyridin-2-ylethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(Cc2ccccc2)C(C)c2ccccn2)cnn1Cc1ccccc1
InChIInChI=1S/C26H26N4O/c1-20-24(17-28-30(20)19-23-13-7-4-8-14-23)26(31)29(18-22-11-5-3-6-12-22)21(2)25-15-9-10-16-27-25/h3-17,21H,18-19H2,1-2H3
InChIKeyFLPZZIGQDMFZOM-UHFFFAOYSA-N
MW410.52 g/mol
LogP5.04
Rot. Bonds7

About N,1-dibenzyl-5-methyl-N-(1-pyridin-2-ylethyl)pyrazole-4-carboxamide

N,1-dibenzyl-5-methyl-N-(1-pyridin-2-ylethyl)pyrazole-4-carboxamide (PubChem CID 86897660) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is N,1-dibenzyl-5-methyl-N-(1-pyridin-2-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,1-dibenzyl-5-methyl-N-(1-pyridin-2-ylethyl)pyrazole-4-carboxamide
PubChem CID86897660
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC NameN,1-dibenzyl-5-methyl-N-(1-pyridin-2-ylethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(Cc2ccccc2)C(C)c2ccccn2)cnn1Cc1ccccc1
InChIInChI=1S/C26H26N4O/c1-20-24(17-28-30(20)19-23-13-7-4-8-14-23)26(31)29(18-22-11-5-3-6-12-22)21(2)25-15-9-10-16-27-25/h3-17,21H,18-19H2,1-2H3
InChIKeyFLPZZIGQDMFZOM-UHFFFAOYSA-N
XLogP5.04
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-methyl-N-[(1R)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide
CID 95324134
N-benzyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(1-pyridin-2-ylethyl)benzamide
CID 86898588
N-(1-aminopropan-2-yl)-1-benzyl-N,5-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119584582
N-(3-aminobutyl)-1-benzyl-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119498889
2-[(1-benzyl-5-methylpyrazole-4-carbonyl)-methylamino]acetic acid
CID 119171995
3-[(1-benzyl-5-methylpyrazole-4-carbonyl)-ethylamino]propanoic acid
CID 119191117
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 95228851
N-benzyl-N-propan-2-ylpyridine-2-carboxamide
CID 42778097
1-benzyl-N-[2-(ethylamino)ethyl]-5-methylpyrazole-4-carboxamide
CID 119508720
1-benzyl-3-(1-methoxypropan-2-yl)-1-(1-pyridin-2-ylethyl)urea
CID 56782733
1-benzyl-N-(diaminomethylidene)-5-methylpyrazole-4-carboxamide
CID 22267704
N-(2-amino-2-methylpropyl)-1-benzyl-5-methylpyrazole-4-carboxamide
CID 119629878

Frequently Asked Questions

What is the IUPAC name of N,1-dibenzyl-5-methyl-N-(1-pyridin-2-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of N,1-dibenzyl-5-methyl-N-(1-pyridin-2-ylethyl)pyrazole-4-carboxamide (CID 86897660) is N,1-dibenzyl-5-methyl-N-(1-pyridin-2-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N,1-dibenzyl-5-methyl-N-(1-pyridin-2-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for N,1-dibenzyl-5-methyl-N-(1-pyridin-2-ylethyl)pyrazole-4-carboxamide is Cc1c(C(=O)N(Cc2ccccc2)C(C)c2ccccn2)cnn1Cc1ccccc1.
What is the InChIKey of N,1-dibenzyl-5-methyl-N-(1-pyridin-2-ylethyl)pyrazole-4-carboxamide?
The InChIKey is FLPZZIGQDMFZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c1-20-24(17-28-30(20)19-23-13-7-4-8-14-23)26(31)29(18-22-11-5-3-6-12-22)21(2)25-15-9-10-16-27-25/h3-17,21H,18-19H2,1-2H3.
What are the key properties of N,1-dibenzyl-5-methyl-N-(1-pyridin-2-ylethyl)pyrazole-4-carboxamide?
N,1-dibenzyl-5-methyl-N-(1-pyridin-2-ylethyl)pyrazole-4-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dibenzyl-5-methyl-N-(1-pyridin-2-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 86897660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).