2-(3-chlorophenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine

C15H19ClN4 — CID 120780185

IUPAC2-(3-chlorophenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
SMILESCc1[nH]ncc1CN1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN4/c1-11-13(8-18-19-11)10-20-6-5-17-9-15(20)12-3-2-4-14(16)7-12/h2-4,7-8,15,17H,5-6,9-10H2,1H3,(H,18,19)
InChIKeyXXFMRLKQOCSLFS-UHFFFAOYSA-N
MW290.80 g/mol
LogP2.52
Rot. Bonds3

About 2-(3-chlorophenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine

2-(3-chlorophenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine (PubChem CID 120780185) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
PubChem CID120780185
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name2-(3-chlorophenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
SMILESCc1[nH]ncc1CN1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN4/c1-11-13(8-18-19-11)10-20-6-5-17-9-15(20)12-3-2-4-14(16)7-12/h2-4,7-8,15,17H,5-6,9-10H2,1H3,(H,18,19)
InChIKeyXXFMRLKQOCSLFS-UHFFFAOYSA-N
XLogP2.52
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
CID 120769026
2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 120770952
2-(3-chlorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine
CID 120780051
2-(3-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120780214
2-(3-chlorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120846864
2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine
CID 120780257
5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
CID 120780059
2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methylpyridin-3-ol
CID 120780083
2-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120780146
2-(3-chlorophenyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
CID 120780202
2-(3-chlorophenyl)-1-[(1-propylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120780194
3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride
CID 120780112

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine?
The IUPAC name of 2-(3-chlorophenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine (CID 120780185) is 2-(3-chlorophenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 2-(3-chlorophenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine is Cc1[nH]ncc1CN1CCNCC1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine?
The InChIKey is XXFMRLKQOCSLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-11-13(8-18-19-11)10-20-6-5-17-9-15(20)12-3-2-4-14(16)7-12/h2-4,7-8,15,17H,5-6,9-10H2,1H3,(H,18,19).
What are the key properties of 2-(3-chlorophenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine?
2-(3-chlorophenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine has a molecular weight of 290.80 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 120780185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).