N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C16H14F3N5O — CID 19284590

IUPACN-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(Cn2ccc(NC(=O)c3cc(C(F)(F)F)[nH]n3)n2)cc1
InChIInChI=1S/C16H14F3N5O/c1-10-2-4-11(5-3-10)9-24-7-6-14(23-24)20-15(25)12-8-13(22-21-12)16(17,18)19/h2-8H,9H2,1H3,(H,21,22)(H,20,23,25)
InChIKeyNVDPYNYDEUYMAA-UHFFFAOYSA-N
MW349.32 g/mol
LogP3.23
Rot. Bonds4

About N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 19284590) has the molecular formula C16H14F3N5O and a molecular weight of 349.32 g/mol. Its IUPAC name is N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID19284590
Molecular FormulaC16H14F3N5O
Molecular Weight349.32 g/mol
Exact Mass349.12
IUPAC NameN-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(Cn2ccc(NC(=O)c3cc(C(F)(F)F)[nH]n3)n2)cc1
InChIInChI=1S/C16H14F3N5O/c1-10-2-4-11(5-3-10)9-24-7-6-14(23-24)20-15(25)12-8-13(22-21-12)16(17,18)19/h2-8H,9H2,1H3,(H,21,22)(H,20,23,25)
InChIKeyNVDPYNYDEUYMAA-UHFFFAOYSA-N
XLogP3.23
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide
CID 19285133
3-fluoro-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284554
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508240
3-(2,4-dichlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide
CID 19284710
N-(1-benzylpyrazol-3-yl)-5-nitro-1H-pyrazole-3-carboxamide
CID 135770931
5-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide
CID 3236497
N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
CID 19284488
2-hydrazinyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-oxoacetamide
CID 4774828
4,5-dibromo-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide
CID 19284580
1-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19284975
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 19285210
N-[(1-ethylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508279

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 19284590) is N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is Cc1ccc(Cn2ccc(NC(=O)c3cc(C(F)(F)F)[nH]n3)n2)cc1.
What is the InChIKey of N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is NVDPYNYDEUYMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O/c1-10-2-4-11(5-3-10)9-24-7-6-14(23-24)20-15(25)12-8-13(22-21-12)16(17,18)19/h2-8H,9H2,1H3,(H,21,22)(H,20,23,25).
What are the key properties of N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 349.32 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19284590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).