1-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]piperazine

C15H20N4 — CID 117394628

IUPAC1-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]piperazine
SMILESCc1ccnn1-c1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C15H20N4/c1-13-6-7-17-19(13)15-4-2-14(3-5-15)12-18-10-8-16-9-11-18/h2-7,16H,8-12H2,1H3
InChIKeyDTCKFTAOGBSDNM-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.59
Rot. Bonds3

About 1-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]piperazine

1-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]piperazine (PubChem CID 117394628) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]piperazine
PubChem CID117394628
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name1-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]piperazine
SMILESCc1ccnn1-c1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C15H20N4/c1-13-6-7-17-19(13)15-4-2-14(3-5-15)12-18-10-8-16-9-11-18/h2-7,16H,8-12H2,1H3
InChIKeyDTCKFTAOGBSDNM-UHFFFAOYSA-N
XLogP1.59
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]piperidine
CID 117391854
1-[(2-phenylpyrazol-3-yl)methyl]-1,4-diazepane;hydrochloride
CID 120834226
1-[(3-chloro-4-methylphenyl)methyl]piperazine
CID 63195406
[4-(piperazin-1-ylmethyl)phenyl]phosphane
CID 21334669
1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperazine
CID 117368978
1-[[4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
CID 12979841
1,4-bis[(4-tert-butylphenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 11328765
propane;1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
CID 177343128
1-methyl-4-[4-(piperazin-1-ylmethyl)phenyl]piperazine-2,5-dione
CID 117487291
azane;1-benzylpiperazine
CID 174866973
7-chloro-2-[4-(piperazin-1-ylmethyl)phenyl]pyrazolo[4,3-b]pyridine
CID 178001599
3-[3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171069116

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]piperazine?
The IUPAC name of 1-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]piperazine (CID 117394628) is 1-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]piperazine is Cc1ccnn1-c1ccc(CN2CCNCC2)cc1.
What is the InChIKey of 1-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]piperazine?
The InChIKey is DTCKFTAOGBSDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-13-6-7-17-19(13)15-4-2-14(3-5-15)12-18-10-8-16-9-11-18/h2-7,16H,8-12H2,1H3.
What are the key properties of 1-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]piperazine?
1-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]piperazine has a molecular weight of 256.35 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]piperazine is sourced from PubChem (CID 117394628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).