1-(1H-pyrazol-5-ylmethyl)-2-pyridin-4-ylpiperazine

C13H17N5 — CID 120910371

IUPAC1-(1H-pyrazol-5-ylmethyl)-2-pyridin-4-ylpiperazine
SMILESc1cc(C2CNCCN2Cc2ccn[nH]2)ccn1
InChIInChI=1S/C13H17N5/c1-4-14-5-2-11(1)13-9-15-7-8-18(13)10-12-3-6-16-17-12/h1-6,13,15H,7-10H2,(H,16,17)
InChIKeyUXCBUBDDDSEWPE-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.95
Rot. Bonds3

About 1-(1H-pyrazol-5-ylmethyl)-2-pyridin-4-ylpiperazine

1-(1H-pyrazol-5-ylmethyl)-2-pyridin-4-ylpiperazine (PubChem CID 120910371) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-ylmethyl)-2-pyridin-4-ylpiperazine.

Molecular Properties

Compound Name1-(1H-pyrazol-5-ylmethyl)-2-pyridin-4-ylpiperazine
PubChem CID120910371
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name1-(1H-pyrazol-5-ylmethyl)-2-pyridin-4-ylpiperazine
SMILESc1cc(C2CNCCN2Cc2ccn[nH]2)ccn1
InChIInChI=1S/C13H17N5/c1-4-14-5-2-11(1)13-9-15-7-8-18(13)10-12-3-6-16-17-12/h1-6,13,15H,7-10H2,(H,16,17)
InChIKeyUXCBUBDDDSEWPE-UHFFFAOYSA-N
XLogP0.95
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120780214
2-(2-methoxyphenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120767431
1-[(3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910126
1-[(2-bromophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910651
2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 110109334
1-[(3-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910880
N,N-dimethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]pyrimidin-2-amine;hydrochloride
CID 120910581
1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine
CID 120910181
4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide
CID 120910369
1-[(5-bromothiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910009
1-[(2,3-dichlorophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910755
5-bromo-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120910696

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-ylmethyl)-2-pyridin-4-ylpiperazine?
The IUPAC name of 1-(1H-pyrazol-5-ylmethyl)-2-pyridin-4-ylpiperazine (CID 120910371) is 1-(1H-pyrazol-5-ylmethyl)-2-pyridin-4-ylpiperazine.
What is the SMILES notation for 1-(1H-pyrazol-5-ylmethyl)-2-pyridin-4-ylpiperazine?
The canonical SMILES for 1-(1H-pyrazol-5-ylmethyl)-2-pyridin-4-ylpiperazine is c1cc(C2CNCCN2Cc2ccn[nH]2)ccn1.
What is the InChIKey of 1-(1H-pyrazol-5-ylmethyl)-2-pyridin-4-ylpiperazine?
The InChIKey is UXCBUBDDDSEWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-4-14-5-2-11(1)13-9-15-7-8-18(13)10-12-3-6-16-17-12/h1-6,13,15H,7-10H2,(H,16,17).
What are the key properties of 1-(1H-pyrazol-5-ylmethyl)-2-pyridin-4-ylpiperazine?
1-(1H-pyrazol-5-ylmethyl)-2-pyridin-4-ylpiperazine has a molecular weight of 243.31 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-ylmethyl)-2-pyridin-4-ylpiperazine is sourced from PubChem (CID 120910371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).