1-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(1-methylpiperidin-4-yl)piperazine

C20H27F2N5 — CID 30723061

IUPAC1-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(1-methylpiperidin-4-yl)piperazine
SMILESCN1CCC(N2CCN(Cc3cn[nH]c3-c3ccc(F)cc3F)CC2)CC1
InChIInChI=1S/C20H27F2N5/c1-25-6-4-17(5-7-25)27-10-8-26(9-11-27)14-15-13-23-24-20(15)18-3-2-16(21)12-19(18)22/h2-3,12-13,17H,4-11,14H2,1H3,(H,23,24)
InChIKeyJKLYBLRDULMBAL-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.57
Rot. Bonds4

About 1-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(1-methylpiperidin-4-yl)piperazine

1-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(1-methylpiperidin-4-yl)piperazine (PubChem CID 30723061) has the molecular formula C20H27F2N5 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(1-methylpiperidin-4-yl)piperazine.

Molecular Properties

Compound Name1-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(1-methylpiperidin-4-yl)piperazine
PubChem CID30723061
Molecular FormulaC20H27F2N5
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name1-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(1-methylpiperidin-4-yl)piperazine
SMILESCN1CCC(N2CCN(Cc3cn[nH]c3-c3ccc(F)cc3F)CC2)CC1
InChIInChI=1S/C20H27F2N5/c1-25-6-4-17(5-7-25)27-10-8-26(9-11-27)14-15-13-23-24-20(15)18-3-2-16(21)12-19(18)22/h2-3,12-13,17H,4-11,14H2,1H3,(H,23,24)
InChIKeyJKLYBLRDULMBAL-UHFFFAOYSA-N
XLogP2.57
TPSA38.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methanamine
CID 79488160
1-benzyl-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine
CID 45200383
1-[(2,4-difluorophenyl)methyl]-4-methylpiperazine
CID 763846
N'-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 86303686
N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 70757308
3-[4-(2,5-difluorophenyl)-1H-pyrazol-5-yl]-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidine
CID 45171512
2-[(4-cyclopropylpiperazin-1-yl)methyl]-4-fluorobenzonitrile
CID 103760705
4-chloro-5-(2,4-difluorophenyl)-1H-pyrazole
CID 61395010
N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-ethyl-2-pyrazol-1-ylethanamine
CID 42289115
N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
CID 31043834
1-(4-chloro-2-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 24865743
2-(4-fluorophenyl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 110868312

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(1-methylpiperidin-4-yl)piperazine?
The IUPAC name of 1-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(1-methylpiperidin-4-yl)piperazine (CID 30723061) is 1-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(1-methylpiperidin-4-yl)piperazine.
What is the SMILES notation for 1-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(1-methylpiperidin-4-yl)piperazine?
The canonical SMILES for 1-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(1-methylpiperidin-4-yl)piperazine is CN1CCC(N2CCN(Cc3cn[nH]c3-c3ccc(F)cc3F)CC2)CC1.
What is the InChIKey of 1-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(1-methylpiperidin-4-yl)piperazine?
The InChIKey is JKLYBLRDULMBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2N5/c1-25-6-4-17(5-7-25)27-10-8-26(9-11-27)14-15-13-23-24-20(15)18-3-2-16(21)12-19(18)22/h2-3,12-13,17H,4-11,14H2,1H3,(H,23,24).
What are the key properties of 1-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(1-methylpiperidin-4-yl)piperazine?
1-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(1-methylpiperidin-4-yl)piperazine has a molecular weight of 375.47 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(1-methylpiperidin-4-yl)piperazine is sourced from PubChem (CID 30723061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).