1-[1-[(1-benzylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine

C19H27N5 — CID 120967671

IUPAC1-[1-[(1-benzylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
SMILESc1ccc(Cn2cc(CN3CCC(N4CCNCC4)C3)cn2)cc1
InChIInChI=1S/C19H27N5/c1-2-4-17(5-3-1)14-24-15-18(12-21-24)13-22-9-6-19(16-22)23-10-7-20-8-11-23/h1-5,12,15,19-20H,6-11,13-14,16H2
InChIKeyOWEJLFWPVAMTOU-UHFFFAOYSA-N
MW325.46 g/mol
LogP1.41
Rot. Bonds5

About 1-[1-[(1-benzylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine

1-[1-[(1-benzylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine (PubChem CID 120967671) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-[1-[(1-benzylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-[(1-benzylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
PubChem CID120967671
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Name1-[1-[(1-benzylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
SMILESc1ccc(Cn2cc(CN3CCC(N4CCNCC4)C3)cn2)cc1
InChIInChI=1S/C19H27N5/c1-2-4-17(5-3-1)14-24-15-18(12-21-24)13-22-9-6-19(16-22)23-10-7-20-8-11-23/h1-5,12,15,19-20H,6-11,13-14,16H2
InChIKeyOWEJLFWPVAMTOU-UHFFFAOYSA-N
XLogP1.41
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(1-benzyl-3-tert-butylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120968069
1-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968330
1-[1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968227
1-[1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120967885
N,N-dimethyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]pyrimidin-2-amine
CID 120968118
1-[1-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120967486
1-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967906
1-[1-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967485
1-benzyl-4-[[3-(oxan-4-yl)azetidin-1-yl]methyl]pyrazole
CID 167856271
1-[1-[[4-(4-methoxyphenoxy)phenyl]methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968141
2-chloro-N-[3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenyl]benzamide
CID 120967927
(3S,4R)-1-[(1-benzylpyrazol-4-yl)methyl]-3-imidazol-1-yl-4-methylpiperidine
CID 124776982

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-benzylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine?
The IUPAC name of 1-[1-[(1-benzylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine (CID 120967671) is 1-[1-[(1-benzylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-[(1-benzylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine?
The canonical SMILES for 1-[1-[(1-benzylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine is c1ccc(Cn2cc(CN3CCC(N4CCNCC4)C3)cn2)cc1.
What is the InChIKey of 1-[1-[(1-benzylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine?
The InChIKey is OWEJLFWPVAMTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-2-4-17(5-3-1)14-24-15-18(12-21-24)13-22-9-6-19(16-22)23-10-7-20-8-11-23/h1-5,12,15,19-20H,6-11,13-14,16H2.
What are the key properties of 1-[1-[(1-benzylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine?
1-[1-[(1-benzylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine has a molecular weight of 325.46 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-benzylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine is sourced from PubChem (CID 120967671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).