4-(methylamino)-N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzamide

C12H11F3N4O — CID 62169200

IUPAC4-(methylamino)-N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzamide
SMILESCNc1ccc(C(=O)Nc2cn[nH]c2)cc1C(F)(F)F
InChIInChI=1S/C12H11F3N4O/c1-16-10-3-2-7(4-9(10)12(13,14)15)11(20)19-8-5-17-18-6-8/h2-6,16H,1H3,(H,17,18)(H,19,20)
InChIKeyMUPQQSXSEBRNRB-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.72
Rot. Bonds3

About 4-(methylamino)-N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzamide

4-(methylamino)-N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzamide (PubChem CID 62169200) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is 4-(methylamino)-N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-(methylamino)-N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzamide
PubChem CID62169200
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC Name4-(methylamino)-N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzamide
SMILESCNc1ccc(C(=O)Nc2cn[nH]c2)cc1C(F)(F)F
InChIInChI=1S/C12H11F3N4O/c1-16-10-3-2-7(4-9(10)12(13,14)15)11(20)19-8-5-17-18-6-8/h2-6,16H,1H3,(H,17,18)(H,19,20)
InChIKeyMUPQQSXSEBRNRB-UHFFFAOYSA-N
XLogP2.72
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzamide
CID 43429418
3,4-dimethyl-N-(1H-pyrazol-4-yl)benzamide
CID 43429529
3-hydroxy-4-methyl-N-(1H-pyrazol-4-yl)benzamide
CID 43540289
4-(methylamino)-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)benzamide
CID 104765588
4-hydroxy-N-(1H-pyrazol-4-yl)benzamide
CID 43540288
4-methoxy-N-(1H-pyrazol-4-yl)benzamide
CID 43429414
4-(methylamino)-N-(1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 81242635
3-amino-4-chloro-N-(1H-pyrazol-4-yl)benzamide
CID 43539715
3-amino-N-(1H-pyrazol-4-yl)benzamide
CID 43539714
2-amino-N-(1H-pyrazol-4-yl)pyridine-4-carboxamide
CID 62154464
3-chloro-N-(1H-pyrazol-4-yl)benzamide
CID 43429419
N-[2-(dimethylamino)ethyl]-4-(methylamino)-3-(trifluoromethyl)benzamide
CID 62171664

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-(methylamino)-N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzamide (CID 62169200) is 4-(methylamino)-N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-(methylamino)-N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-(methylamino)-N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzamide is CNc1ccc(C(=O)Nc2cn[nH]c2)cc1C(F)(F)F.
What is the InChIKey of 4-(methylamino)-N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is MUPQQSXSEBRNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O/c1-16-10-3-2-7(4-9(10)12(13,14)15)11(20)19-8-5-17-18-6-8/h2-6,16H,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-(methylamino)-N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzamide?
4-(methylamino)-N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 284.24 g/mol, XLogP of 2.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 62169200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).