N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide

C11H12F3N5O — CID 126828473

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide
SMILESCc1c(CNC(=O)c2[nH]ncc2C(F)(F)F)cnn1C
InChIInChI=1S/C11H12F3N5O/c1-6-7(4-17-19(6)2)3-15-10(20)9-8(5-16-18-9)11(12,13)14/h4-5H,3H2,1-2H3,(H,15,20)(H,16,18)
InChIKeyODCXTRSGOCHVLM-UHFFFAOYSA-N
MW287.25 g/mol
LogP1.40
Rot. Bonds3

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide (PubChem CID 126828473) has the molecular formula C11H12F3N5O and a molecular weight of 287.25 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide
PubChem CID126828473
Molecular FormulaC11H12F3N5O
Molecular Weight287.25 g/mol
Exact Mass287.10
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide
SMILESCc1c(CNC(=O)c2[nH]ncc2C(F)(F)F)cnn1C
InChIInChI=1S/C11H12F3N5O/c1-6-7(4-17-19(6)2)3-15-10(20)9-8(5-16-18-9)11(12,13)14/h4-5H,3H2,1-2H3,(H,15,20)(H,16,18)
InChIKeyODCXTRSGOCHVLM-UHFFFAOYSA-N
XLogP1.40
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 844027
4-bromo-1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19267328
4-bromo-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19267338
[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-(1H-pyrazol-5-yl)methanone
CID 72143912
4-bromo-1-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 4769251
N-methyl-N-(1H-pyrazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 136573125
4-methyl-N-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 137972706
1-propan-2-yl-N-[(1S)-1-(1H-pyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 164639211
N,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 164642054
N-methyl-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 67379171
3-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-3,4-dicarboxamide
CID 70114668
3-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-3,4-dicarboxamide
CID 70115481

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide (CID 126828473) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide is Cc1c(CNC(=O)c2[nH]ncc2C(F)(F)F)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is ODCXTRSGOCHVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O/c1-6-7(4-17-19(6)2)3-15-10(20)9-8(5-16-18-9)11(12,13)14/h4-5H,3H2,1-2H3,(H,15,20)(H,16,18).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 287.25 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 126828473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).