(4-chloro-1H-pyrazol-5-yl)-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methanone

C15H15ClF2N4O — CID 19514719

IUPAC(4-chloro-1H-pyrazol-5-yl)-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1[nH]ncc1Cl)N1CCN(Cc2cccc(F)c2F)CC1
InChIInChI=1S/C15H15ClF2N4O/c16-11-8-19-20-14(11)15(23)22-6-4-21(5-7-22)9-10-2-1-3-12(17)13(10)18/h1-3,8H,4-7,9H2,(H,19,20)
InChIKeyYJFXBDPXHLNMQO-UHFFFAOYSA-N
MW340.76 g/mol
LogP2.30
Rot. Bonds3

About (4-chloro-1H-pyrazol-5-yl)-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methanone

(4-chloro-1H-pyrazol-5-yl)-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 19514719) has the molecular formula C15H15ClF2N4O and a molecular weight of 340.76 g/mol. Its IUPAC name is (4-chloro-1H-pyrazol-5-yl)-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1H-pyrazol-5-yl)-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID19514719
Molecular FormulaC15H15ClF2N4O
Molecular Weight340.76 g/mol
Exact Mass340.09
IUPAC Name(4-chloro-1H-pyrazol-5-yl)-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1[nH]ncc1Cl)N1CCN(Cc2cccc(F)c2F)CC1
InChIInChI=1S/C15H15ClF2N4O/c16-11-8-19-20-14(11)15(23)22-6-4-21(5-7-22)9-10-2-1-3-12(17)13(10)18/h1-3,8H,4-7,9H2,(H,19,20)
InChIKeyYJFXBDPXHLNMQO-UHFFFAOYSA-N
XLogP2.30
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.76
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-chloro-1H-pyrazol-5-yl)-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromo-1H-pyrazol-5-yl)-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19514863
4-[4-[(2,3-difluorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyrazole-5-carboxylic acid
CID 19496196
[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 19515184
2-(4-chloro-5-methylpyrazol-1-yl)-1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 19536413
[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-(2,4-dimethylphenyl)methanone
CID 19292997
[4-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-phenylmethanone
CID 75430647
(4-chloro-1-methylpyrazol-3-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19279147
[1-[(4-chloro-3-methylphenoxy)methyl]pyrazol-3-yl]-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methanone
CID 19472799
[3-[(2,3-dichlorophenoxy)methyl]phenyl]-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methanone
CID 19292987
1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 78877266
[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[4-[(4-nitropyrazol-1-yl)methyl]phenyl]methanone
CID 19292852
1-[(2,3-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 75470128

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-pyrazol-5-yl)-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (4-chloro-1H-pyrazol-5-yl)-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methanone (CID 19514719) is (4-chloro-1H-pyrazol-5-yl)-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1H-pyrazol-5-yl)-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-chloro-1H-pyrazol-5-yl)-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methanone is O=C(c1[nH]ncc1Cl)N1CCN(Cc2cccc(F)c2F)CC1.
What is the InChIKey of (4-chloro-1H-pyrazol-5-yl)-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is YJFXBDPXHLNMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF2N4O/c16-11-8-19-20-14(11)15(23)22-6-4-21(5-7-22)9-10-2-1-3-12(17)13(10)18/h1-3,8H,4-7,9H2,(H,19,20).
What are the key properties of (4-chloro-1H-pyrazol-5-yl)-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methanone?
(4-chloro-1H-pyrazol-5-yl)-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 340.76 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-pyrazol-5-yl)-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 19514719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).