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

C20H24ClN5 — CID 120767925

IUPAC1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
SMILESCc1nn(-c2ccccc2)cc1CN1CCNCC1c1cccnc1.Cl
InChIInChI=1S/C20H23N5.ClH/c1-16-18(15-25(23-16)19-7-3-2-4-8-19)14-24-11-10-22-13-20(24)17-6-5-9-21-12-17;/h2-9,12,15,20,22H,10-11,13-14H2,1H3;1H
InChIKeyVQSKQNVMNVBNTH-UHFFFAOYSA-N
MW369.90 g/mol
LogP3.14
Rot. Bonds4

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

1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride (PubChem CID 120767925) has the molecular formula C20H24ClN5 and a molecular weight of 369.90 g/mol. Its IUPAC name is 1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
PubChem CID120767925
Molecular FormulaC20H24ClN5
Molecular Weight369.90 g/mol
Exact Mass369.17
IUPAC Name1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
SMILESCc1nn(-c2ccccc2)cc1CN1CCNCC1c1cccnc1.Cl
InChIInChI=1S/C20H23N5.ClH/c1-16-18(15-25(23-16)19-7-3-2-4-8-19)14-24-11-10-22-13-20(24)17-6-5-9-21-12-17;/h2-9,12,15,20,22H,10-11,13-14H2,1H3;1H
InChIKeyVQSKQNVMNVBNTH-UHFFFAOYSA-N
XLogP3.14
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine
CID 120767678
1-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine
CID 120755227
1-[(2-bromophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120755094
2-pyridin-3-yl-1-[(2,4,5-trimethylphenyl)methyl]piperazine
CID 120768364
2-(2-chlorophenyl)-1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]piperazine
CID 120768758
1-[(2,6-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754734
1-[(5-fluoro-2-methylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120768241
1-[(2,4-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768082
2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 120768365
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
5-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;dihydrochloride
CID 120754848
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride?
The IUPAC name of 1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride (CID 120767925) is 1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride.
What is the SMILES notation for 1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride?
The canonical SMILES for 1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride is Cc1nn(-c2ccccc2)cc1CN1CCNCC1c1cccnc1.Cl.
What is the InChIKey of 1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride?
The InChIKey is VQSKQNVMNVBNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5.ClH/c1-16-18(15-25(23-16)19-7-3-2-4-8-19)14-24-11-10-22-13-20(24)17-6-5-9-21-12-17;/h2-9,12,15,20,22H,10-11,13-14H2,1H3;1H.
What are the key properties of 1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride?
1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride has a molecular weight of 369.90 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride is sourced from PubChem (CID 120767925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).