(3,4-difluorophenyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone

C16H18F2N4O — CID 90506426

IUPAC(3,4-difluorophenyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone
SMILESCc1n[nH]c(C)c1N1CCN(C(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C16H18F2N4O/c1-10-15(11(2)20-19-10)21-5-7-22(8-6-21)16(23)12-3-4-13(17)14(18)9-12/h3-4,9H,5-8H2,1-2H3,(H,19,20)
InChIKeyCAMNMBFVULNYQW-UHFFFAOYSA-N
MW320.34 g/mol
LogP2.27
Rot. Bonds2

About (3,4-difluorophenyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone

(3,4-difluorophenyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone (PubChem CID 90506426) has the molecular formula C16H18F2N4O and a molecular weight of 320.34 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone
PubChem CID90506426
Molecular FormulaC16H18F2N4O
Molecular Weight320.34 g/mol
Exact Mass320.14
IUPAC Name(3,4-difluorophenyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone
SMILESCc1n[nH]c(C)c1N1CCN(C(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C16H18F2N4O/c1-10-15(11(2)20-19-10)21-5-7-22(8-6-21)16(23)12-3-4-13(17)14(18)9-12/h3-4,9H,5-8H2,1-2H3,(H,19,20)
InChIKeyCAMNMBFVULNYQW-UHFFFAOYSA-N
XLogP2.27
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-tert-butylphenyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone
CID 90506399
(3-bromophenyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone
CID 90506422
(3,4-difluorophenyl)-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone
CID 113081265
(5-bromo-3-pyridinyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone
CID 90506372
[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 90506480
(3,4-difluorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]methanone
CID 55586065
3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 90506344
[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 90506482
(3,4-difluorophenyl)-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]methanone
CID 110645884
(3,4-difluorophenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 17465933
N-(4-chlorophenyl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carboxamide
CID 90506985
(3,4-difluorophenyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334310

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone (CID 90506426) is (3,4-difluorophenyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone is Cc1n[nH]c(C)c1N1CCN(C(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of (3,4-difluorophenyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone?
The InChIKey is CAMNMBFVULNYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O/c1-10-15(11(2)20-19-10)21-5-7-22(8-6-21)16(23)12-3-4-13(17)14(18)9-12/h3-4,9H,5-8H2,1-2H3,(H,19,20).
What are the key properties of (3,4-difluorophenyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone?
(3,4-difluorophenyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone has a molecular weight of 320.34 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 90506426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).