N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide

C18H18N4O — CID 166327972

IUPACN-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCc1cnccc1CN(C)C(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C18H18N4O/c1-13-11-19-9-8-15(13)12-22(2)18(23)17-10-16(20-21-17)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,20,21)
InChIKeyKAPOXOIDRYNMLC-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.05
Rot. Bonds4

About N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide

N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 166327972) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID166327972
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCc1cnccc1CN(C)C(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C18H18N4O/c1-13-11-19-9-8-15(13)12-22(2)18(23)17-10-16(20-21-17)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,20,21)
InChIKeyKAPOXOIDRYNMLC-UHFFFAOYSA-N
XLogP3.05
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 51046454
N-(1H-imidazol-2-ylmethyl)-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 63928491
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 166183764
N-methyl-3-phenyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 50984748
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 39459167
N,N-dibenzyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 18870925
N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1,3-oxazole-5-carboxamide
CID 91764923
N-[(2-methylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889561
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 19515423
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 79377189
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 37137994
3-amino-N-[(2-bromophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 64523107

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 166327972) is N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide is Cc1cnccc1CN(C)C(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is KAPOXOIDRYNMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13-11-19-9-8-15(13)12-22(2)18(23)17-10-16(20-21-17)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,20,21).
What are the key properties of N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 166327972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).