N-[(2-propan-2-ylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine

C14H20N4 — CID 114197624

IUPACN-[(2-propan-2-ylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine
SMILESCCNC(c1ccccn1)c1ccnn1C(C)C
InChIInChI=1S/C14H20N4/c1-4-15-14(12-7-5-6-9-16-12)13-8-10-17-18(13)11(2)3/h5-11,14-15H,4H2,1-3H3
InChIKeyARIWUAHTGXLJSY-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.56
Rot. Bonds5

About N-[(2-propan-2-ylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine

N-[(2-propan-2-ylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine (PubChem CID 114197624) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[(2-propan-2-ylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2-propan-2-ylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine
PubChem CID114197624
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-[(2-propan-2-ylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine
SMILESCCNC(c1ccccn1)c1ccnn1C(C)C
InChIInChI=1S/C14H20N4/c1-4-15-14(12-7-5-6-9-16-12)13-8-10-17-18(13)11(2)3/h5-11,14-15H,4H2,1-3H3
InChIKeyARIWUAHTGXLJSY-UHFFFAOYSA-N
XLogP2.56
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine
CID 63975523
N-[(1-methylpyrazol-3-yl)-(2-propan-2-ylpyrazol-3-yl)methyl]ethanamine
CID 114197664
N-[(2-methylpyrazol-3-yl)-pyridin-2-ylmethyl]propan-1-amine
CID 63962466
N-[(3-methylfuran-2-yl)-(2-propan-2-ylpyrazol-3-yl)methyl]ethanamine
CID 114197719
N-[(4-ethylphenyl)-pyridin-2-ylmethyl]ethanamine
CID 55084696
N-[2,3-dihydro-1,4-benzodioxin-6-yl(pyridin-2-yl)methyl]ethanamine
CID 62789488
N-ethyl-2-methoxy-3-methyl-1-(2-propan-2-ylpyrazol-3-yl)butan-1-amine
CID 114197724
N-[pyridin-2-yl(quinolin-5-yl)methyl]ethanamine
CID 81220016
N-[(5-methylthiophen-3-yl)-pyridin-2-ylmethyl]ethanamine
CID 65105127
N-[(2-ethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine
CID 63974892
1-(2-propan-2-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-1-amine
CID 114198061
N-[(5-fluoro-2-methylphenyl)-pyridin-2-ylmethyl]ethanamine
CID 62791700

Frequently Asked Questions

What is the IUPAC name of N-[(2-propan-2-ylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine?
The IUPAC name of N-[(2-propan-2-ylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine (CID 114197624) is N-[(2-propan-2-ylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(2-propan-2-ylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(2-propan-2-ylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine is CCNC(c1ccccn1)c1ccnn1C(C)C.
What is the InChIKey of N-[(2-propan-2-ylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine?
The InChIKey is ARIWUAHTGXLJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-4-15-14(12-7-5-6-9-16-12)13-8-10-17-18(13)11(2)3/h5-11,14-15H,4H2,1-3H3.
What are the key properties of N-[(2-propan-2-ylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine?
N-[(2-propan-2-ylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine has a molecular weight of 244.34 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propan-2-ylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine is sourced from PubChem (CID 114197624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).