5-[2-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazol-3-amine

C14H18N4 — CID 117358203

IUPAC5-[2-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccccc2CN2CCCC2)[nH]n1
InChIInChI=1S/C14H18N4/c15-14-9-13(16-17-14)12-6-2-1-5-11(12)10-18-7-3-4-8-18/h1-2,5-6,9H,3-4,7-8,10H2,(H3,15,16,17)
InChIKeyZOVRZXLDHSIWKO-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.25
Rot. Bonds3

About 5-[2-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazol-3-amine

5-[2-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazol-3-amine (PubChem CID 117358203) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 5-[2-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[2-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazol-3-amine
PubChem CID117358203
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name5-[2-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccccc2CN2CCCC2)[nH]n1
InChIInChI=1S/C14H18N4/c15-14-9-13(16-17-14)12-6-2-1-5-11(12)10-18-7-3-4-8-18/h1-2,5-6,9H,3-4,7-8,10H2,(H3,15,16,17)
InChIKeyZOVRZXLDHSIWKO-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[2-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazol-3-amine (CID 117358203) is 5-[2-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[2-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[2-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazol-3-amine is Nc1cc(-c2ccccc2CN2CCCC2)[nH]n1.
What is the InChIKey of 5-[2-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazol-3-amine?
The InChIKey is ZOVRZXLDHSIWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c15-14-9-13(16-17-14)12-6-2-1-5-11(12)10-18-7-3-4-8-18/h1-2,5-6,9H,3-4,7-8,10H2,(H3,15,16,17).
What are the key properties of 5-[2-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazol-3-amine?
5-[2-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazol-3-amine has a molecular weight of 242.33 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 117358203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).