1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-pyridin-4-ylpiperazine

C19H20FN5 — CID 120910502

IUPAC1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-pyridin-4-ylpiperazine
SMILESFc1ccc(-n2cc(CN3CCNCC3c3ccncc3)cn2)cc1
InChIInChI=1S/C19H20FN5/c20-17-1-3-18(4-2-17)25-14-15(11-23-25)13-24-10-9-22-12-19(24)16-5-7-21-8-6-16/h1-8,11,14,19,22H,9-10,12-13H2
InChIKeyKAIPLZVSEROXJX-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.55
Rot. Bonds4

About 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-pyridin-4-ylpiperazine

1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-pyridin-4-ylpiperazine (PubChem CID 120910502) has the molecular formula C19H20FN5 and a molecular weight of 337.40 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-pyridin-4-ylpiperazine.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-pyridin-4-ylpiperazine
PubChem CID120910502
Molecular FormulaC19H20FN5
Molecular Weight337.40 g/mol
Exact Mass337.17
IUPAC Name1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-pyridin-4-ylpiperazine
SMILESFc1ccc(-n2cc(CN3CCNCC3c3ccncc3)cn2)cc1
InChIInChI=1S/C19H20FN5/c20-17-1-3-18(4-2-17)25-14-15(11-23-25)13-24-10-9-22-12-19(24)16-5-7-21-8-6-16/h1-8,11,14,19,22H,9-10,12-13H2
InChIKeyKAIPLZVSEROXJX-UHFFFAOYSA-N
XLogP2.55
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine
CID 120755227
1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120767304
1-[(1-tert-butylpyrazol-4-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910252
1-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910039
1-[(1-propylpyrazol-4-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910214
1-[(3-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910880
1-[(3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910126
3-[(2S)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperidin-2-yl]pyridine
CID 99928577
2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 110109334
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
1-[[4-(difluoromethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910278
N,N-dimethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]pyrimidin-2-amine;hydrochloride
CID 120910581

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-pyridin-4-ylpiperazine?
The IUPAC name of 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-pyridin-4-ylpiperazine (CID 120910502) is 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-pyridin-4-ylpiperazine.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-pyridin-4-ylpiperazine?
The canonical SMILES for 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-pyridin-4-ylpiperazine is Fc1ccc(-n2cc(CN3CCNCC3c3ccncc3)cn2)cc1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-pyridin-4-ylpiperazine?
The InChIKey is KAIPLZVSEROXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5/c20-17-1-3-18(4-2-17)25-14-15(11-23-25)13-24-10-9-22-12-19(24)16-5-7-21-8-6-16/h1-8,11,14,19,22H,9-10,12-13H2.
What are the key properties of 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-pyridin-4-ylpiperazine?
1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-pyridin-4-ylpiperazine has a molecular weight of 337.40 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-pyridin-4-ylpiperazine is sourced from PubChem (CID 120910502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).