[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]methanamine

C11H14N4 — CID 63253968

IUPAC[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]methanamine
SMILESNCc1cnn(CCc2ccncc2)c1
InChIInChI=1S/C11H14N4/c12-7-11-8-14-15(9-11)6-3-10-1-4-13-5-2-10/h1-2,4-5,8-9H,3,6-7,12H2
InChIKeyDZWFLFHQYAJSLA-UHFFFAOYSA-N
MW202.26 g/mol
LogP0.98
Rot. Bonds4

About [1-(2-pyridin-4-ylethyl)pyrazol-4-yl]methanamine

[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]methanamine (PubChem CID 63253968) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is [1-(2-pyridin-4-ylethyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]methanamine
PubChem CID63253968
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]methanamine
SMILESNCc1cnn(CCc2ccncc2)c1
InChIInChI=1S/C11H14N4/c12-7-11-8-14-15(9-11)6-3-10-1-4-13-5-2-10/h1-2,4-5,8-9H,3,6-7,12H2
InChIKeyDZWFLFHQYAJSLA-UHFFFAOYSA-N
XLogP0.98
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-pyridin-4-ylpyrazol-4-yl)methanamine
CID 20983373
(1-but-3-ynylpyrazol-4-yl)methanamine
CID 63644007
[1-[[3-(trifluoromethyl)-4-pyridinyl]methyl]pyrazol-4-yl]methanamine;hydrochloride
CID 146195478
[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methanamine
CID 62727284
(1-hept-6-enylpyrazol-4-yl)methanamine
CID 107010332
[1-(2-cyclohexylethyl)pyrazol-4-yl]methanamine
CID 146194383
[1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]methanamine
CID 106729373
[1-[(3,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methanamine
CID 146194560
1-[2-(4-fluorophenyl)ethyl]pyrazol-4-amine
CID 83532506
1-[2-(4-chlorophenyl)ethyl]pyrazol-4-amine
CID 83536334
(1-prop-2-ynylpyrazol-4-yl)methanamine;dihydrochloride
CID 86811710
4-[[4-(aminomethyl)pyrazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine
CID 146194662

Frequently Asked Questions

What is the IUPAC name of [1-(2-pyridin-4-ylethyl)pyrazol-4-yl]methanamine?
The IUPAC name of [1-(2-pyridin-4-ylethyl)pyrazol-4-yl]methanamine (CID 63253968) is [1-(2-pyridin-4-ylethyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [1-(2-pyridin-4-ylethyl)pyrazol-4-yl]methanamine?
The canonical SMILES for [1-(2-pyridin-4-ylethyl)pyrazol-4-yl]methanamine is NCc1cnn(CCc2ccncc2)c1.
What is the InChIKey of [1-(2-pyridin-4-ylethyl)pyrazol-4-yl]methanamine?
The InChIKey is DZWFLFHQYAJSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c12-7-11-8-14-15(9-11)6-3-10-1-4-13-5-2-10/h1-2,4-5,8-9H,3,6-7,12H2.
What are the key properties of [1-(2-pyridin-4-ylethyl)pyrazol-4-yl]methanamine?
[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]methanamine has a molecular weight of 202.26 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-pyridin-4-ylethyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 63253968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).