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

C13H16N4 — CID 56771527

IUPAC1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-amine
SMILESNC1CCN(c2cc(-c3ccccc3)[nH]n2)C1
InChIInChI=1S/C13H16N4/c14-11-6-7-17(9-11)13-8-12(15-16-13)10-4-2-1-3-5-10/h1-5,8,11H,6-7,9,14H2,(H,15,16)
InChIKeyLCJGDMTWCJEARU-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.61
Rot. Bonds2

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

1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-amine (PubChem CID 56771527) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-amine
PubChem CID56771527
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-amine
SMILESNC1CCN(c2cc(-c3ccccc3)[nH]n2)C1
InChIInChI=1S/C13H16N4/c14-11-6-7-17(9-11)13-8-12(15-16-13)10-4-2-1-3-5-10/h1-5,8,11H,6-7,9,14H2,(H,15,16)
InChIKeyLCJGDMTWCJEARU-UHFFFAOYSA-N
XLogP1.61
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 46891461
CID 46891461
(3H)A-585539
CID 23643135
N2-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diamine
CID 2423957
(1S,4S)-2-(6-phenylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 15462088
(1S,4S)-2-methyl-5-(6-phenylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 15462089
N-methyl-5-phenyl-1H-pyrazol-3-amine
CID 12356179
1-(5-phenyl-1H-pyrazol-3-yl)azepane
CID 973199
1-Phenethyl-4-(5-phenyl-1H-pyrazol-3-yl)-piperazine
CID 10735344
(3aS,6aR)-5-(6-phenylpyridazin-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 44190552
(+/-)-N,N-dimethyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine
CID 46225102
N-ethyl-N-methyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine
CID 46225103
(1R,4R)-2-methyl-5-(6-phenylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 46891462

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-amine?
The IUPAC name of 1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-amine (CID 56771527) is 1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-amine is NC1CCN(c2cc(-c3ccccc3)[nH]n2)C1.
What is the InChIKey of 1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-amine?
The InChIKey is LCJGDMTWCJEARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c14-11-6-7-17(9-11)13-8-12(15-16-13)10-4-2-1-3-5-10/h1-5,8,11H,6-7,9,14H2,(H,15,16).
What are the key properties of 1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-amine?
1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-amine has a molecular weight of 228.30 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-amine is sourced from PubChem (CID 56771527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).