1-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine

C19H21N5 — CID 120755227

IUPAC1-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine
SMILESc1ccc(-n2cc(CN3CCNCC3c3cccnc3)cn2)cc1
InChIInChI=1S/C19H21N5/c1-2-6-18(7-3-1)24-15-16(11-22-24)14-23-10-9-21-13-19(23)17-5-4-8-20-12-17/h1-8,11-12,15,19,21H,9-10,13-14H2
InChIKeyKCGHOMMQPLCRRZ-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.41
Rot. Bonds4

About 1-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine

1-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine (PubChem CID 120755227) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine
PubChem CID120755227
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name1-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine
SMILESc1ccc(-n2cc(CN3CCNCC3c3cccnc3)cn2)cc1
InChIInChI=1S/C19H21N5/c1-2-6-18(7-3-1)24-15-16(11-22-24)14-23-10-9-21-13-19(23)17-5-4-8-20-12-17/h1-8,11-12,15,19,21H,9-10,13-14H2
InChIKeyKCGHOMMQPLCRRZ-UHFFFAOYSA-N
XLogP2.41
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-phenylpyrazol-4-yl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754244
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-pyridin-4-ylpiperazine
CID 120910502
1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120767925
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
3-[(2S)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperidin-2-yl]pyridine
CID 99928577
1-[(4-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120755894
1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768234
1-[(3-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768370
2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 120768365
1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine
CID 120767678
1-[(2-bromophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120755094

Frequently Asked Questions

What is the IUPAC name of 1-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine?
The IUPAC name of 1-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine (CID 120755227) is 1-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine?
The canonical SMILES for 1-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine is c1ccc(-n2cc(CN3CCNCC3c3cccnc3)cn2)cc1.
What is the InChIKey of 1-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine?
The InChIKey is KCGHOMMQPLCRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-2-6-18(7-3-1)24-15-16(11-22-24)14-23-10-9-21-13-19(23)17-5-4-8-20-12-17/h1-8,11-12,15,19,21H,9-10,13-14H2.
What are the key properties of 1-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine?
1-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine has a molecular weight of 319.41 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine is sourced from PubChem (CID 120755227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).