1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-amine

C14H18N4 — CID 102550613

IUPAC1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-amine
SMILESNC1CCN(Cc2cc(-c3ccccc3)n[nH]2)C1
InChIInChI=1S/C14H18N4/c15-12-6-7-18(9-12)10-13-8-14(17-16-13)11-4-2-1-3-5-11/h1-5,8,12H,6-7,9-10,15H2,(H,16,17)
InChIKeyGFAYNXBTNLEPCX-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.61
Rot. Bonds3

About 1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-amine

1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-amine (PubChem CID 102550613) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-amine
PubChem CID102550613
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-amine
SMILESNC1CCN(Cc2cc(-c3ccccc3)n[nH]2)C1
InChIInChI=1S/C14H18N4/c15-12-6-7-18(9-12)10-13-8-14(17-16-13)11-4-2-1-3-5-11/h1-5,8,12H,6-7,9-10,15H2,(H,16,17)
InChIKeyGFAYNXBTNLEPCX-UHFFFAOYSA-N
XLogP1.61
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-amine (CID 102550613) is 1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-amine is NC1CCN(Cc2cc(-c3ccccc3)n[nH]2)C1.
What is the InChIKey of 1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-amine?
The InChIKey is GFAYNXBTNLEPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c15-12-6-7-18(9-12)10-13-8-14(17-16-13)11-4-2-1-3-5-11/h1-5,8,12H,6-7,9-10,15H2,(H,16,17).
What are the key properties of 1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-amine?
1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-amine has a molecular weight of 242.33 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 102550613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).