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

C14H22F2N4O — CID 72914077

IUPAC[1-(difluoromethyl)pyrazol-3-yl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone
SMILESCCC1CN(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
InChIKeyPZPWGWYGHQYKIQ-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.22
Rot. Bonds4

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

[1-(difluoromethyl)pyrazol-3-yl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 72914077) has the molecular formula C14H22F2N4O and a molecular weight of 300.35 g/mol. Its IUPAC name is [1-(difluoromethyl)pyrazol-3-yl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(difluoromethyl)pyrazol-3-yl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID72914077
Molecular FormulaC14H22F2N4O
Molecular Weight300.35 g/mol
Exact Mass300.18
IUPAC Name[1-(difluoromethyl)pyrazol-3-yl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone
SMILESCCC1CN(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
InChIKeyPZPWGWYGHQYKIQ-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)pyrazol-3-yl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [1-(difluoromethyl)pyrazol-3-yl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone (CID 72914077) is [1-(difluoromethyl)pyrazol-3-yl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(difluoromethyl)pyrazol-3-yl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(difluoromethyl)pyrazol-3-yl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone is CCC1CN(C(=O)c2ccn(C(F)F)n2)CCN1C(C)C.
What is the InChIKey of [1-(difluoromethyl)pyrazol-3-yl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is PZPWGWYGHQYKIQ-UHFFFAOYSA-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.
What are the key properties of [1-(difluoromethyl)pyrazol-3-yl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone?
[1-(difluoromethyl)pyrazol-3-yl]-(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]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 72914077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).