(4-methylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone

C10H13F3N4O — CID 118526683

IUPAC(4-methylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone
SMILESCN1CCN(C(=O)n2cc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C10H13F3N4O/c1-15-2-4-16(5-3-15)9(18)17-7-8(6-14-17)10(11,12)13/h6-7H,2-5H2,1H3
InChIKeyIYRKQLYAXCRQQR-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.12
Rot. Bonds

About (4-methylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone

(4-methylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone (PubChem CID 118526683) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone
PubChem CID118526683
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Name(4-methylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone
SMILESCN1CCN(C(=O)n2cc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C10H13F3N4O/c1-15-2-4-16(5-3-15)9(18)17-7-8(6-14-17)10(11,12)13/h6-7H,2-5H2,1H3
InChIKeyIYRKQLYAXCRQQR-UHFFFAOYSA-N
XLogP1.12
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Shi-13
CID 118526888
Serine Hydrolase Inhibitor-10
CID 89785475
1-(Piperidine-1-carbonyl)pyrazole-4-carbonitrile
CID 118526750
Piperazin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118526410
1,4-Diazepan-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118526518
1-[4-[4-(Trifluoromethyl)pyrazole-1-carbonyl]piperazin-1-yl]ethanone
CID 118526571
Morpholin-4-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118526616
N-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-4-(trifluoromethyl)pyrazole-1-carboxamide
CID 118526617
Tert-butyl 4-[4-(trifluoromethyl)pyrazole-1-carbonyl]piperazine-1-carboxylate
CID 118526630
(4-Methylsulfonyl-1,4-diazepan-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118526635
(4-Methyl-1,4-diazepan-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118526639
Pyrrolidin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118526681

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone (CID 118526683) is (4-methylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone is CN1CCN(C(=O)n2cc(C(F)(F)F)cn2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone?
The InChIKey is IYRKQLYAXCRQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c1-15-2-4-16(5-3-15)9(18)17-7-8(6-14-17)10(11,12)13/h6-7H,2-5H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone?
(4-methylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone has a molecular weight of 262.23 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone is sourced from PubChem (CID 118526683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).