[1-(difluoromethyl)pyrazol-3-yl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone

C14H22F2N4O — CID 97204545

IUPAC[1-(difluoromethyl)pyrazol-3-yl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
SMILESCC[C@H]1CN(C(=O)c2ccn(C(F)F)n2)CCN1C(C)C
InChIInChI=1S/C14H22F2N4O/c1-4-11-9-18(7-8-19(11)10(2)3)13(21)12-5-6-20(17-12)14(15)16/h5-6,10-11,14H,4,7-9H2,1-3H3/t11-/m0/s1
InChIKeyPZPWGWYGHQYKIQ-NSHDSACASA-N
MW300.35 g/mol
LogP2.22
Rot. Bonds4

About [1-(difluoromethyl)pyrazol-3-yl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone

[1-(difluoromethyl)pyrazol-3-yl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone (PubChem CID 97204545) has the molecular formula C14H22F2N4O and a molecular weight of 300.35 g/mol. Its IUPAC name is [1-(difluoromethyl)pyrazol-3-yl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(difluoromethyl)pyrazol-3-yl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
PubChem CID97204545
Molecular FormulaC14H22F2N4O
Molecular Weight300.35 g/mol
Exact Mass300.18
IUPAC Name[1-(difluoromethyl)pyrazol-3-yl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
SMILESCC[C@H]1CN(C(=O)c2ccn(C(F)F)n2)CCN1C(C)C
InChIInChI=1S/C14H22F2N4O/c1-4-11-9-18(7-8-19(11)10(2)3)13(21)12-5-6-20(17-12)14(15)16/h5-6,10-11,14H,4,7-9H2,1-3H3/t11-/m0/s1
InChIKeyPZPWGWYGHQYKIQ-NSHDSACASA-N
XLogP2.22
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(difluoromethyl)pyrazol-3-yl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone with MolForge

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Related Compounds

ethyl 4-[1-(difluoromethyl)pyrazole-3-carbonyl]piperazine-1-carboxylate
CID 4866590
[1-(difluoromethyl)pyrazol-3-yl]-(4-hydroxy-3,4-dimethylpiperidin-1-yl)methanone
CID 78086744
5-[(3R)-3-ethyl-4-propan-2-ylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 99949676
(2-cyclopropylmorpholin-4-yl)-[1-(difluoromethyl)pyrazol-3-yl]methanone
CID 90649833
(2-cyclopropylpyrimidin-5-yl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone
CID 72911490
[1-(difluoromethyl)pyrazol-3-yl]-[(4R)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone
CID 133128219
(4-methylpiperazin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone
CID 59729279
(2,4-dimethylpyrimidin-5-yl)-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
CID 97142002
(3-ethylsulfonylazetidin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone
CID 122154914
(3-ethyl-4-propan-2-ylpiperazin-1-yl)-(3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 72908166
[1-(difluoromethyl)pyrazol-3-yl]-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone
CID 46969146
[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]-quinolin-6-ylmethanone
CID 96574836

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)pyrazol-3-yl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone?
The IUPAC name of [1-(difluoromethyl)pyrazol-3-yl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone (CID 97204545) is [1-(difluoromethyl)pyrazol-3-yl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone.
What is the SMILES notation for [1-(difluoromethyl)pyrazol-3-yl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone?
The canonical SMILES for [1-(difluoromethyl)pyrazol-3-yl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone is CC[C@H]1CN(C(=O)c2ccn(C(F)F)n2)CCN1C(C)C.
What is the InChIKey of [1-(difluoromethyl)pyrazol-3-yl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone?
The InChIKey is PZPWGWYGHQYKIQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H22F2N4O/c1-4-11-9-18(7-8-19(11)10(2)3)13(21)12-5-6-20(17-12)14(15)16/h5-6,10-11,14H,4,7-9H2,1-3H3/t11-/m0/s1.
What are the key properties of [1-(difluoromethyl)pyrazol-3-yl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone?
[1-(difluoromethyl)pyrazol-3-yl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone has a molecular weight of 300.35 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)pyrazol-3-yl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone is sourced from PubChem (CID 97204545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).