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

C13H16N4 — CID 79730682

IUPACN-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidin-3-amine
SMILESc1cc(NC2CCNC2)cc(-c2ccn[nH]2)c1
InChIInChI=1S/C13H16N4/c1-2-10(13-5-7-15-17-13)8-11(3-1)16-12-4-6-14-9-12/h1-3,5,7-8,12,14,16H,4,6,9H2,(H,15,17)
InChIKeyCLWCAPFUEJCBNC-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.85
Rot. Bonds3

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

N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidin-3-amine (PubChem CID 79730682) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidin-3-amine
PubChem CID79730682
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC NameN-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidin-3-amine
SMILESc1cc(NC2CCNC2)cc(-c2ccn[nH]2)c1
InChIInChI=1S/C13H16N4/c1-2-10(13-5-7-15-17-13)8-11(3-1)16-12-4-6-14-9-12/h1-3,5,7-8,12,14,16H,4,6,9H2,(H,15,17)
InChIKeyCLWCAPFUEJCBNC-UHFFFAOYSA-N
XLogP1.85
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidin-3-amine?
The IUPAC name of N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidin-3-amine (CID 79730682) is N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidin-3-amine?
The canonical SMILES for N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidin-3-amine is c1cc(NC2CCNC2)cc(-c2ccn[nH]2)c1.
What is the InChIKey of N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidin-3-amine?
The InChIKey is CLWCAPFUEJCBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-2-10(13-5-7-15-17-13)8-11(3-1)16-12-4-6-14-9-12/h1-3,5,7-8,12,14,16H,4,6,9H2,(H,15,17).
What are the key properties of N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidin-3-amine?
N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidin-3-amine has a molecular weight of 228.30 g/mol, XLogP of 1.85, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidin-3-amine is sourced from PubChem (CID 79730682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).