1-[5-(3,4-difluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-methylpiperazine

C19H19F2N5 — CID 22037639

IUPAC1-[5-(3,4-difluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-methylpiperazine
SMILESCN1CCN(c2n[nH]c(-c3ccc(F)c(F)c3)c2-c2ccncc2)CC1
InChIInChI=1S/C19H19F2N5/c1-25-8-10-26(11-9-25)19-17(13-4-6-22-7-5-13)18(23-24-19)14-2-3-15(20)16(21)12-14/h2-7,12H,8-11H2,1H3,(H,23,24)
InChIKeyANMQGGFLFZVUNN-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.17
Rot. Bonds3

About 1-[5-(3,4-difluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-methylpiperazine

1-[5-(3,4-difluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-methylpiperazine (PubChem CID 22037639) has the molecular formula C19H19F2N5 and a molecular weight of 355.39 g/mol. Its IUPAC name is 1-[5-(3,4-difluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[5-(3,4-difluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-methylpiperazine
PubChem CID22037639
Molecular FormulaC19H19F2N5
Molecular Weight355.39 g/mol
Exact Mass355.16
IUPAC Name1-[5-(3,4-difluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-methylpiperazine
SMILESCN1CCN(c2n[nH]c(-c3ccc(F)c(F)c3)c2-c2ccncc2)CC1
InChIInChI=1S/C19H19F2N5/c1-25-8-10-26(11-9-25)19-17(13-4-6-22-7-5-13)18(23-24-19)14-2-3-15(20)16(21)12-14/h2-7,12H,8-11H2,1H3,(H,23,24)
InChIKeyANMQGGFLFZVUNN-UHFFFAOYSA-N
XLogP3.17
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(4-iodophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-methylpiperazine
CID 15485911
4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine
CID 22037585
1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-cyclopropylpiperazine
CID 22037242
1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-amine
CID 57304022
4-[5-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine
CID 22037711
2-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3,4-dihydro-1H-isoquinoline
CID 22953665
sodium 4-[4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-1-yl]-4-oxobutanoate
CID 139926086
4-[4-[5-(4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-1-yl]-4-oxobutanoic acid
CID 71191185
4-[5-(4-chlorophenyl)-3-(1-methylpiperidin-4-yl)oxy-1H-pyrazol-4-yl]pyridine
CID 22037499
4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine-2-carboxamide
CID 22037760
2-tert-butyl-4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine-1-carboxylic acid;triazine
CID 174424755
1-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2,6-naphthyridine
CID 68599583

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-difluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-methylpiperazine?
The IUPAC name of 1-[5-(3,4-difluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-methylpiperazine (CID 22037639) is 1-[5-(3,4-difluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[5-(3,4-difluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-methylpiperazine?
The canonical SMILES for 1-[5-(3,4-difluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-methylpiperazine is CN1CCN(c2n[nH]c(-c3ccc(F)c(F)c3)c2-c2ccncc2)CC1.
What is the InChIKey of 1-[5-(3,4-difluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-methylpiperazine?
The InChIKey is ANMQGGFLFZVUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5/c1-25-8-10-26(11-9-25)19-17(13-4-6-22-7-5-13)18(23-24-19)14-2-3-15(20)16(21)12-14/h2-7,12H,8-11H2,1H3,(H,23,24).
What are the key properties of 1-[5-(3,4-difluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-methylpiperazine?
1-[5-(3,4-difluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-methylpiperazine has a molecular weight of 355.39 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4-difluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-methylpiperazine is sourced from PubChem (CID 22037639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).