3-(dimethylamino)-5-phenyl-1H-pyrazole-4-carboxamide

C12H14N4O — CID 71031561

IUPAC3-(dimethylamino)-5-phenyl-1H-pyrazole-4-carboxamide
SMILESCN(C)c1n[nH]c(-c2ccccc2)c1C(N)=O
InChIInChI=1S/C12H14N4O/c1-16(2)12-9(11(13)17)10(14-15-12)8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,13,17)(H,14,15)
InChIKeyFVDWYTVNSBHYQM-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.24
Rot. Bonds3

About 3-(dimethylamino)-5-phenyl-1H-pyrazole-4-carboxamide

3-(dimethylamino)-5-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 71031561) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-(dimethylamino)-5-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(dimethylamino)-5-phenyl-1H-pyrazole-4-carboxamide
PubChem CID71031561
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name3-(dimethylamino)-5-phenyl-1H-pyrazole-4-carboxamide
SMILESCN(C)c1n[nH]c(-c2ccccc2)c1C(N)=O
InChIInChI=1S/C12H14N4O/c1-16(2)12-9(11(13)17)10(14-15-12)8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,13,17)(H,14,15)
InChIKeyFVDWYTVNSBHYQM-UHFFFAOYSA-N
XLogP1.24
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-5-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-(dimethylamino)-5-phenyl-1H-pyrazole-4-carboxamide (CID 71031561) is 3-(dimethylamino)-5-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-(dimethylamino)-5-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-(dimethylamino)-5-phenyl-1H-pyrazole-4-carboxamide is CN(C)c1n[nH]c(-c2ccccc2)c1C(N)=O.
What is the InChIKey of 3-(dimethylamino)-5-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is FVDWYTVNSBHYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-16(2)12-9(11(13)17)10(14-15-12)8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,13,17)(H,14,15).
What are the key properties of 3-(dimethylamino)-5-phenyl-1H-pyrazole-4-carboxamide?
3-(dimethylamino)-5-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-5-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71031561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).