(4-methylpyrazol-1-yl)-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone

C10H9F3N4O — CID 4772351

IUPAC(4-methylpyrazol-1-yl)-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
SMILESCc1cnn(C(=O)c2cc(C(F)(F)F)n(C)n2)c1
InChIInChI=1S/C10H9F3N4O/c1-6-4-14-17(5-6)9(18)7-3-8(10(11,12)13)16(2)15-7/h3-5H,1-2H3
InChIKeyUTMVWJVRTJKHSR-UHFFFAOYSA-N
MW258.20 g/mol
LogP1.63
Rot. Bonds1

About (4-methylpyrazol-1-yl)-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone

(4-methylpyrazol-1-yl)-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone (PubChem CID 4772351) has the molecular formula C10H9F3N4O and a molecular weight of 258.20 g/mol. Its IUPAC name is (4-methylpyrazol-1-yl)-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(4-methylpyrazol-1-yl)-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
PubChem CID4772351
Molecular FormulaC10H9F3N4O
Molecular Weight258.20 g/mol
Exact Mass258.07
IUPAC Name(4-methylpyrazol-1-yl)-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
SMILESCc1cnn(C(=O)c2cc(C(F)(F)F)n(C)n2)c1
InChIInChI=1S/C10H9F3N4O/c1-6-4-14-17(5-6)9(18)7-3-8(10(11,12)13)16(2)15-7/h3-5H,1-2H3
InChIKeyUTMVWJVRTJKHSR-UHFFFAOYSA-N
XLogP1.63
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-3-carboxamide
CID 652342
(1,5-Dimethylpyrazol-3-yl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone
CID 2738511
N,1-dimethyl-5-(trifluoromethyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 4771573
N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4772979
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 17020976
N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19575300
N-[(1-Ethyl-5-methyl-1H-pyrazol-4-YL)methyl]-N,1-dimethyl-1H-pyrazole-3-carboxamide
CID 19575757
N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,1-dimethyl-1H-pyrazole-5-carboxamide
CID 19575903
N-[(1,5-Dimethyl-1H-pyrazol-4-YL)methyl]-N,1,3-trimethyl-1H-pyrazole-5-carboxamide
CID 19575943
(3,5-Dimethylpyrazol-1-yl)-(4-iodo-1-methylpyrazol-3-yl)methanone
CID 671788
1-methyl-5-(1H-pyrazol-1-ylcarbonyl)-3-(trifluoromethyl)-1H-pyrazole
CID 844640
(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)(4-methyl-1H-pyrazol-1-yl)methanone
CID 4769449

Frequently Asked Questions

What is the IUPAC name of (4-methylpyrazol-1-yl)-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
The IUPAC name of (4-methylpyrazol-1-yl)-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone (CID 4772351) is (4-methylpyrazol-1-yl)-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone.
What is the SMILES notation for (4-methylpyrazol-1-yl)-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
The canonical SMILES for (4-methylpyrazol-1-yl)-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone is Cc1cnn(C(=O)c2cc(C(F)(F)F)n(C)n2)c1.
What is the InChIKey of (4-methylpyrazol-1-yl)-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
The InChIKey is UTMVWJVRTJKHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O/c1-6-4-14-17(5-6)9(18)7-3-8(10(11,12)13)16(2)15-7/h3-5H,1-2H3.
What are the key properties of (4-methylpyrazol-1-yl)-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
(4-methylpyrazol-1-yl)-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone has a molecular weight of 258.20 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpyrazol-1-yl)-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 4772351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).