1-pyrazol-1-yl-N-(2-pyridin-3-ylethyl)propan-2-amine

C13H18N4 — CID 63264733

IUPAC1-pyrazol-1-yl-N-(2-pyridin-3-ylethyl)propan-2-amine
SMILESCC(Cn1cccn1)NCCc1cccnc1
InChIInChI=1S/C13H18N4/c1-12(11-17-9-3-7-16-17)15-8-5-13-4-2-6-14-10-13/h2-4,6-7,9-10,12,15H,5,8,11H2,1H3
InChIKeyIIHQEBUAQJJSPJ-UHFFFAOYSA-N
MW230.32 g/mol
LogP1.50
Rot. Bonds6

About 1-pyrazol-1-yl-N-(2-pyridin-3-ylethyl)propan-2-amine

1-pyrazol-1-yl-N-(2-pyridin-3-ylethyl)propan-2-amine (PubChem CID 63264733) has the molecular formula C13H18N4 and a molecular weight of 230.32 g/mol. Its IUPAC name is 1-pyrazol-1-yl-N-(2-pyridin-3-ylethyl)propan-2-amine.

Molecular Properties

Compound Name1-pyrazol-1-yl-N-(2-pyridin-3-ylethyl)propan-2-amine
PubChem CID63264733
Molecular FormulaC13H18N4
Molecular Weight230.32 g/mol
Exact Mass230.15
IUPAC Name1-pyrazol-1-yl-N-(2-pyridin-3-ylethyl)propan-2-amine
SMILESCC(Cn1cccn1)NCCc1cccnc1
InChIInChI=1S/C13H18N4/c1-12(11-17-9-3-7-16-17)15-8-5-13-4-2-6-14-10-13/h2-4,6-7,9-10,12,15H,5,8,11H2,1H3
InChIKeyIIHQEBUAQJJSPJ-UHFFFAOYSA-N
XLogP1.50
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-pyridin-3-ylethyl)octan-2-amine
CID 60914592
N-(2-fluoroethyl)-1-pyrazol-1-ylpropan-2-amine
CID 80601447
N-ethyl-1-pyrazol-1-ylpropan-2-amine
CID 43435880
1-cyclobutyl-N-(2-pyridin-3-ylethyl)propan-2-amine
CID 115709042
N-(3-phenoxypropyl)-1-pyrazol-1-ylpropan-2-amine
CID 60765949
N-(pyrazin-2-ylmethyl)-1-pyrazol-1-ylpropan-2-amine
CID 62761307
1-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)propan-2-amine
CID 115709037
1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-pyridin-3-ylethyl)urea
CID 95131187
N',N',N",N"-tetramethyl-N-(2-pyridin-3-ylethyl)methanetriamine
CID 69260242
1-imidazol-1-yl-N-(2-pyrazol-1-ylethyl)propan-2-amine
CID 61491585
N',N'-diethyl-N-(1-pyrazol-1-ylpropan-2-yl)ethane-1,2-diamine
CID 61462605
N-[(4-fluorophenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43435020

Frequently Asked Questions

What is the IUPAC name of 1-pyrazol-1-yl-N-(2-pyridin-3-ylethyl)propan-2-amine?
The IUPAC name of 1-pyrazol-1-yl-N-(2-pyridin-3-ylethyl)propan-2-amine (CID 63264733) is 1-pyrazol-1-yl-N-(2-pyridin-3-ylethyl)propan-2-amine.
What is the SMILES notation for 1-pyrazol-1-yl-N-(2-pyridin-3-ylethyl)propan-2-amine?
The canonical SMILES for 1-pyrazol-1-yl-N-(2-pyridin-3-ylethyl)propan-2-amine is CC(Cn1cccn1)NCCc1cccnc1.
What is the InChIKey of 1-pyrazol-1-yl-N-(2-pyridin-3-ylethyl)propan-2-amine?
The InChIKey is IIHQEBUAQJJSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-12(11-17-9-3-7-16-17)15-8-5-13-4-2-6-14-10-13/h2-4,6-7,9-10,12,15H,5,8,11H2,1H3.
What are the key properties of 1-pyrazol-1-yl-N-(2-pyridin-3-ylethyl)propan-2-amine?
1-pyrazol-1-yl-N-(2-pyridin-3-ylethyl)propan-2-amine has a molecular weight of 230.32 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazol-1-yl-N-(2-pyridin-3-ylethyl)propan-2-amine is sourced from PubChem (CID 63264733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).