1-(1-ethylpyrazol-4-yl)-3-pyridin-2-ylpropan-1-amine

C13H18N4 — CID 105109214

IUPAC1-(1-ethylpyrazol-4-yl)-3-pyridin-2-ylpropan-1-amine
SMILESCCn1cc(C(N)CCc2ccccn2)cn1
InChIInChI=1S/C13H18N4/c1-2-17-10-11(9-16-17)13(14)7-6-12-5-3-4-8-15-12/h3-5,8-10,13H,2,6-7,14H2,1H3
InChIKeyUHFNSRUMDFXCCR-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.93
Rot. Bonds5

About 1-(1-ethylpyrazol-4-yl)-3-pyridin-2-ylpropan-1-amine

1-(1-ethylpyrazol-4-yl)-3-pyridin-2-ylpropan-1-amine (PubChem CID 105109214) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-3-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-3-pyridin-2-ylpropan-1-amine
PubChem CID105109214
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name1-(1-ethylpyrazol-4-yl)-3-pyridin-2-ylpropan-1-amine
SMILESCCn1cc(C(N)CCc2ccccn2)cn1
InChIInChI=1S/C13H18N4/c1-2-17-10-11(9-16-17)13(14)7-6-12-5-3-4-8-15-12/h3-5,8-10,13H,2,6-7,14H2,1H3
InChIKeyUHFNSRUMDFXCCR-UHFFFAOYSA-N
XLogP1.93
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylphenyl)-3-pyridin-2-ylpropan-1-amine
CID 105121774
3-ethoxy-1-(1-ethylpyrazol-4-yl)propan-1-amine
CID 105109341
1-(1-ethylpyrazol-4-yl)pentan-1-amine
CID 79412573
(2S)-4-pyridin-2-ylbutan-2-amine
CID 22831528
1-(2-propan-2-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-1-amine
CID 114198061
1-(3-chlorophenyl)-3-pyridin-2-ylpropan-1-amine
CID 105106557
1-(1-ethylpyrazol-4-yl)-4-pyridin-2-ylbutan-2-one
CID 105084640
(1R)-1-[4-(2-pyridin-2-ylethoxy)phenyl]propan-1-amine
CID 78937530
3-(2-ethylpyrazol-3-yl)-1-phenylpropan-1-amine
CID 64503724
2-amino-2-(1-methylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 115289665
1-(2-chlorophenyl)-3-pyridin-2-ylpropan-1-amine
CID 105099874
1-ethoxy-4-pyridin-2-ylbutan-2-amine
CID 105165178

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-pyridin-2-ylpropan-1-amine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-pyridin-2-ylpropan-1-amine (CID 105109214) is 1-(1-ethylpyrazol-4-yl)-3-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-3-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-3-pyridin-2-ylpropan-1-amine is CCn1cc(C(N)CCc2ccccn2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-3-pyridin-2-ylpropan-1-amine?
The InChIKey is UHFNSRUMDFXCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-2-17-10-11(9-16-17)13(14)7-6-12-5-3-4-8-15-12/h3-5,8-10,13H,2,6-7,14H2,1H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-3-pyridin-2-ylpropan-1-amine?
1-(1-ethylpyrazol-4-yl)-3-pyridin-2-ylpropan-1-amine has a molecular weight of 230.31 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-3-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 105109214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).