N-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide

C16H14F3N5O — CID 53324217

IUPACN-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
SMILESCn1ccc(NC(=O)c2ccn(Cc3cccc(C(F)(F)F)c3)n2)n1
InChIInChI=1S/C16H14F3N5O/c1-23-7-6-14(22-23)20-15(25)13-5-8-24(21-13)10-11-3-2-4-12(9-11)16(17,18)19/h2-9H,10H2,1H3,(H,20,22,25)
InChIKeyGDHPWVSMSXBXQK-UHFFFAOYSA-N
MW349.32 g/mol
LogP2.94
Rot. Bonds4

About N-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide

N-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide (PubChem CID 53324217) has the molecular formula C16H14F3N5O and a molecular weight of 349.32 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
PubChem CID53324217
Molecular FormulaC16H14F3N5O
Molecular Weight349.32 g/mol
Exact Mass349.12
IUPAC NameN-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
SMILESCn1ccc(NC(=O)c2ccn(Cc3cccc(C(F)(F)F)c3)n2)n1
InChIInChI=1S/C16H14F3N5O/c1-23-7-6-14(22-23)20-15(25)13-5-8-24(21-13)10-11-3-2-4-12(9-11)16(17,18)19/h2-9H,10H2,1H3,(H,20,22,25)
InChIKeyGDHPWVSMSXBXQK-UHFFFAOYSA-N
XLogP2.94
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-[1-(2-fluorobenzyl)-1H-pyrazol-3-yl]benzamide
CID 999124
N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-1-methyl-1H-pyrazole-5-carboxamide
CID 3299137
4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]pyrazole-5-carboxamide
CID 165415136
4-(azetidine-1-carbonyl)-N-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415380
N-Cycloheptyl-1-(2,4-difluorophenyl)-4-methyl-5-(1Hpyrrol-1-yl)-1H-pyrazole-3-carboxamide
CID 45482298
3-({4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}methyl)-N-[1-(2,3,5,6-tetrafluorobenzyl)-1H-pyrazol-3-yl]benzamide
CID 998758
N-[1-(2-fluorobenzyl)-1H-pyrazol-3-yl]-1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxamide
CID 998871
1-methyl-4-nitro-N-[1-(2,3,5,6-tetrafluorobenzyl)-1H-pyrazol-3-yl]-1H-pyrazole-3-carboxamide
CID 998901
3-(1-ethyl-1H-pyrazol-4-yl)-N-[1-(2,3,5,6-tetrafluorobenzyl)-1H-pyrazol-3-yl]acrylamide
CID 999008
4-chloro-1-methyl-N-[1-[(4-methylphenyl)methyl]-3-pyrazolyl]-3-pyrazolecarboxamide
CID 1223565
N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-1-ethyl-1H-pyrazole-3-carboxamide
CID 4577554
SCD1 inhibitor-4
CID 51346908

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide (CID 53324217) is N-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide is Cn1ccc(NC(=O)c2ccn(Cc3cccc(C(F)(F)F)c3)n2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide?
The InChIKey is GDHPWVSMSXBXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O/c1-23-7-6-14(22-23)20-15(25)13-5-8-24(21-13)10-11-3-2-4-12(9-11)16(17,18)19/h2-9H,10H2,1H3,(H,20,22,25).
What are the key properties of N-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide?
N-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide has a molecular weight of 349.32 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 53324217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).