1-(1H-pyrazol-5-yl)-N-(2-pyridin-3-ylethyl)ethanamine

C12H16N4 — CID 60971301

IUPAC1-(1H-pyrazol-5-yl)-N-(2-pyridin-3-ylethyl)ethanamine
SMILESCC(NCCc1cccnc1)c1ccn[nH]1
InChIInChI=1S/C12H16N4/c1-10(12-5-8-15-16-12)14-7-4-11-3-2-6-13-9-11/h2-3,5-6,8-10,14H,4,7H2,1H3,(H,15,16)
InChIKeyYCDGHSQWYFWRJO-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.70
Rot. Bonds5

About 1-(1H-pyrazol-5-yl)-N-(2-pyridin-3-ylethyl)ethanamine

1-(1H-pyrazol-5-yl)-N-(2-pyridin-3-ylethyl)ethanamine (PubChem CID 60971301) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-yl)-N-(2-pyridin-3-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(1H-pyrazol-5-yl)-N-(2-pyridin-3-ylethyl)ethanamine
PubChem CID60971301
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name1-(1H-pyrazol-5-yl)-N-(2-pyridin-3-ylethyl)ethanamine
SMILESCC(NCCc1cccnc1)c1ccn[nH]1
InChIInChI=1S/C12H16N4/c1-10(12-5-8-15-16-12)14-7-4-11-3-2-6-13-9-11/h2-3,5-6,8-10,14H,4,7H2,1H3,(H,15,16)
InChIKeyYCDGHSQWYFWRJO-UHFFFAOYSA-N
XLogP1.70
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]phenol
CID 61237634
N-(2-pyridin-3-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 60913402
1-[4-(2-methylpropyl)phenyl]-N-(2-pyridin-3-ylethyl)ethanamine
CID 60896080
1-(2-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 60895907
N',N',N",N"-tetramethyl-N-(2-pyridin-3-ylethyl)methanetriamine
CID 69260242
1-cyclobutyl-N-(2-pyridin-3-ylethyl)propan-2-amine
CID 115709042
(1R)-1-(3-bromophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 81382701
N-methyl-2-(2-pyridin-3-ylethylamino)propanamide
CID 60912739
N-pentan-3-yl-2-(2-pyridin-3-ylethylamino)propanamide
CID 60913079
N-(2-pyridin-3-ylethyl)octan-2-amine
CID 60914592
3-methyl-1-phenyl-N-(2-pyridin-3-ylethyl)butan-1-amine
CID 60896076
N-[2-(1-methylimidazol-2-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 61212039

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-yl)-N-(2-pyridin-3-ylethyl)ethanamine?
The IUPAC name of 1-(1H-pyrazol-5-yl)-N-(2-pyridin-3-ylethyl)ethanamine (CID 60971301) is 1-(1H-pyrazol-5-yl)-N-(2-pyridin-3-ylethyl)ethanamine.
What is the SMILES notation for 1-(1H-pyrazol-5-yl)-N-(2-pyridin-3-ylethyl)ethanamine?
The canonical SMILES for 1-(1H-pyrazol-5-yl)-N-(2-pyridin-3-ylethyl)ethanamine is CC(NCCc1cccnc1)c1ccn[nH]1.
What is the InChIKey of 1-(1H-pyrazol-5-yl)-N-(2-pyridin-3-ylethyl)ethanamine?
The InChIKey is YCDGHSQWYFWRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-10(12-5-8-15-16-12)14-7-4-11-3-2-6-13-9-11/h2-3,5-6,8-10,14H,4,7H2,1H3,(H,15,16).
What are the key properties of 1-(1H-pyrazol-5-yl)-N-(2-pyridin-3-ylethyl)ethanamine?
1-(1H-pyrazol-5-yl)-N-(2-pyridin-3-ylethyl)ethanamine has a molecular weight of 216.29 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-yl)-N-(2-pyridin-3-ylethyl)ethanamine is sourced from PubChem (CID 60971301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).