N-benzyl-2,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide

C18H18N4O — CID 75449858

IUPACN-benzyl-2,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccccc2)c2ccncc2)n(C)n1
InChIInChI=1S/C18H18N4O/c1-14-12-17(21(2)20-14)18(23)22(16-8-10-19-11-9-16)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3
InChIKeyHNONAYQWGWQKAU-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.97
Rot. Bonds4

About N-benzyl-2,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide

N-benzyl-2,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide (PubChem CID 75449858) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-benzyl-2,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide
PubChem CID75449858
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-benzyl-2,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccccc2)c2ccncc2)n(C)n1
InChIInChI=1S/C18H18N4O/c1-14-12-17(21(2)20-14)18(23)22(16-8-10-19-11-9-16)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3
InChIKeyHNONAYQWGWQKAU-UHFFFAOYSA-N
XLogP2.97
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N,2,5-trimethylpyrazole-3-carboxamide
CID 112513798
2-ethyl-5-methyl-N-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 42789348
2-(N-(2,5-dimethylpyrazole-3-carbonyl)-4-methylanilino)acetic acid
CID 66126674
N-benzyl-1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
CID 110682735
2-(N-(2,5-dimethylpyrazole-3-carbonyl)-4-hydroxyanilino)acetic acid
CID 66126888
N-benzyl-3,4-dimethyl-N-pyridin-4-ylfuran-2-carboxamide
CID 126797224
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2,5-dimethylpyrazole-3-carboxamide
CID 55883038
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,5-dimethyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 42796231
N-benzyl-1-methyl-6-oxo-N-phenylpyridazine-3-carboxamide
CID 42161824
N-benzyl-5-methyl-N-pyridin-4-yl-1,3-oxazole-4-carboxamide
CID 75449878
1-(2,5-dimethylpyrazol-3-yl)-2-pyridin-4-ylethanone
CID 105110466
pyridin-4-yl(pyridin-4-ylmethyl)carbamic acid
CID 66997302

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide?
The IUPAC name of N-benzyl-2,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide (CID 75449858) is N-benzyl-2,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-benzyl-2,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide?
The canonical SMILES for N-benzyl-2,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide is Cc1cc(C(=O)N(Cc2ccccc2)c2ccncc2)n(C)n1.
What is the InChIKey of N-benzyl-2,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide?
The InChIKey is HNONAYQWGWQKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-14-12-17(21(2)20-14)18(23)22(16-8-10-19-11-9-16)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3.
What are the key properties of N-benzyl-2,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide?
N-benzyl-2,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide is sourced from PubChem (CID 75449858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).