[4-[1-(difluoromethyl)pyrazole-3-carbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone

C17H18F2N4O3 — CID 70716411

IUPAC[4-[1-(difluoromethyl)pyrazole-3-carbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCN(C(=O)c3ccn(C(F)F)n3)CC2)c1
InChIInChI=1S/C17H18F2N4O3/c1-26-13-4-2-3-12(11-13)15(24)21-7-9-22(10-8-21)16(25)14-5-6-23(20-14)17(18)19/h2-6,11,17H,7-10H2,1H3
InChIKeyFDCDNJCKIQUBAX-UHFFFAOYSA-N
MW364.35 g/mol
LogP1.88
Rot. Bonds4

About [4-[1-(difluoromethyl)pyrazole-3-carbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone

[4-[1-(difluoromethyl)pyrazole-3-carbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone (PubChem CID 70716411) has the molecular formula C17H18F2N4O3 and a molecular weight of 364.35 g/mol. Its IUPAC name is [4-[1-(difluoromethyl)pyrazole-3-carbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[1-(difluoromethyl)pyrazole-3-carbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
PubChem CID70716411
Molecular FormulaC17H18F2N4O3
Molecular Weight364.35 g/mol
Exact Mass364.13
IUPAC Name[4-[1-(difluoromethyl)pyrazole-3-carbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCN(C(=O)c3ccn(C(F)F)n3)CC2)c1
InChIInChI=1S/C17H18F2N4O3/c1-26-13-4-2-3-12(11-13)15(24)21-7-9-22(10-8-21)16(25)14-5-6-23(20-14)17(18)19/h2-6,11,17H,7-10H2,1H3
InChIKeyFDCDNJCKIQUBAX-UHFFFAOYSA-N
XLogP1.88
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
(3-methoxyphenyl)-[4-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone
CID 38047053
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110365049
[4-(2-fluorobenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 776701
2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083237
[4-(3,4-dichlorobenzoyl)-1,4-diazepan-1-yl]-(3-methoxyphenyl)methanone
CID 108543910
[3-(difluoromethoxy)phenyl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 19297405
6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one
CID 38047108
(3-methoxyphenyl)-[4-[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone
CID 136579606
4-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]benzonitrile
CID 38046638

Frequently Asked Questions

What is the IUPAC name of [4-[1-(difluoromethyl)pyrazole-3-carbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [4-[1-(difluoromethyl)pyrazole-3-carbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone (CID 70716411) is [4-[1-(difluoromethyl)pyrazole-3-carbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [4-[1-(difluoromethyl)pyrazole-3-carbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [4-[1-(difluoromethyl)pyrazole-3-carbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCN(C(=O)c3ccn(C(F)F)n3)CC2)c1.
What is the InChIKey of [4-[1-(difluoromethyl)pyrazole-3-carbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone?
The InChIKey is FDCDNJCKIQUBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O3/c1-26-13-4-2-3-12(11-13)15(24)21-7-9-22(10-8-21)16(25)14-5-6-23(20-14)17(18)19/h2-6,11,17H,7-10H2,1H3.
What are the key properties of [4-[1-(difluoromethyl)pyrazole-3-carbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone?
[4-[1-(difluoromethyl)pyrazole-3-carbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone has a molecular weight of 364.35 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(difluoromethyl)pyrazole-3-carbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 70716411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).