1-[1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperazine

C18H25N5 — CID 120967885

IUPAC1-[1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperazine
SMILESc1ccc(-n2nccc2CN2CCC(N3CCNCC3)C2)cc1
InChIInChI=1S/C18H25N5/c1-2-4-16(5-3-1)23-18(6-8-20-23)15-21-11-7-17(14-21)22-12-9-19-10-13-22/h1-6,8,17,19H,7,9-15H2
InChIKeyUSZPIROXUMXIIW-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.35
Rot. Bonds4

About 1-[1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperazine

1-[1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperazine (PubChem CID 120967885) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-[1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperazine
PubChem CID120967885
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name1-[1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperazine
SMILESc1ccc(-n2nccc2CN2CCC(N3CCNCC3)C2)cc1
InChIInChI=1S/C18H25N5/c1-2-4-16(5-3-1)23-18(6-8-20-23)15-21-11-7-17(14-21)22-12-9-19-10-13-22/h1-6,8,17,19H,7,9-15H2
InChIKeyUSZPIROXUMXIIW-UHFFFAOYSA-N
XLogP1.35
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120967486
1-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120968586
1-[1-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967485
1-[(2-phenylpyrazol-3-yl)methyl]-1,4-diazepane;hydrochloride
CID 120834226
N-methyl-1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 120834032
(3R,4S)-4-hydroxy-1-[(2-phenylpyrazol-3-yl)methyl]piperidine-3-carboxylic acid
CID 164690116
1-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967906
[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 120836012
1-[1-[(1-benzylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120967671
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-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120968218

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperazine?
The IUPAC name of 1-[1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperazine (CID 120967885) is 1-[1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperazine?
The canonical SMILES for 1-[1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperazine is c1ccc(-n2nccc2CN2CCC(N3CCNCC3)C2)cc1.
What is the InChIKey of 1-[1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperazine?
The InChIKey is USZPIROXUMXIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-2-4-16(5-3-1)23-18(6-8-20-23)15-21-11-7-17(14-21)22-12-9-19-10-13-22/h1-6,8,17,19H,7,9-15H2.
What are the key properties of 1-[1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperazine?
1-[1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperazine has a molecular weight of 311.43 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperazine is sourced from PubChem (CID 120967885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).