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

C13H16N4O — CID 110484314

IUPACN-[3-(dimethylamino)phenyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(N(C)C)c2)n[nH]1
InChIInChI=1S/C13H16N4O/c1-9-7-12(16-15-9)13(18)14-10-5-4-6-11(8-10)17(2)3/h4-8H,1-3H3,(H,14,18)(H,15,16)
InChIKeyKPYBGXVTINJDLV-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.04
Rot. Bonds3

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

N-[3-(dimethylamino)phenyl]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 110484314) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-[3-(dimethylamino)phenyl]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)phenyl]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID110484314
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-[3-(dimethylamino)phenyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(N(C)C)c2)n[nH]1
InChIInChI=1S/C13H16N4O/c1-9-7-12(16-15-9)13(18)14-10-5-4-6-11(8-10)17(2)3/h4-8H,1-3H3,(H,14,18)(H,15,16)
InChIKeyKPYBGXVTINJDLV-UHFFFAOYSA-N
XLogP2.04
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 47292628
N-(3,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 20865072
(E)-3-[3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]prop-2-enoic acid
CID 115339104
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511
4-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 2310755
N-[3-(dimethylamino)phenyl]-2-fluoro-3-methylbenzamide
CID 115376734
N-(3-acetamidophenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 36709127
2-chloro-N-[3-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 84580348
N-[3-[methyl(propan-2-yl)amino]phenyl]-2H-triazole-4-carboxamide
CID 56785425
N-[3-(dimethylamino)phenyl]-1H-indazole-4-carboxamide
CID 110468742
5-chloro-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide
CID 78912773
N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 4284932

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)phenyl]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)phenyl]-5-methyl-1H-pyrazole-3-carboxamide (CID 110484314) is N-[3-(dimethylamino)phenyl]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)phenyl]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)phenyl]-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cccc(N(C)C)c2)n[nH]1.
What is the InChIKey of N-[3-(dimethylamino)phenyl]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is KPYBGXVTINJDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-7-12(16-15-9)13(18)14-10-5-4-6-11(8-10)17(2)3/h4-8H,1-3H3,(H,14,18)(H,15,16).
What are the key properties of N-[3-(dimethylamino)phenyl]-5-methyl-1H-pyrazole-3-carboxamide?
N-[3-(dimethylamino)phenyl]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)phenyl]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 110484314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).