N-[(2-ethylpyrazol-3-yl)-pyridin-4-ylmethyl]propan-1-amine

C14H20N4 — CID 63976367

IUPACN-[(2-ethylpyrazol-3-yl)-pyridin-4-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccncc1)c1ccnn1CC
InChIInChI=1S/C14H20N4/c1-3-8-16-14(12-5-9-15-10-6-12)13-7-11-17-18(13)4-2/h5-7,9-11,14,16H,3-4,8H2,1-2H3
InChIKeyRSTXUJLPDJCTBB-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.39
Rot. Bonds6

About N-[(2-ethylpyrazol-3-yl)-pyridin-4-ylmethyl]propan-1-amine

N-[(2-ethylpyrazol-3-yl)-pyridin-4-ylmethyl]propan-1-amine (PubChem CID 63976367) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)-pyridin-4-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)-pyridin-4-ylmethyl]propan-1-amine
PubChem CID63976367
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-[(2-ethylpyrazol-3-yl)-pyridin-4-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccncc1)c1ccnn1CC
InChIInChI=1S/C14H20N4/c1-3-8-16-14(12-5-9-15-10-6-12)13-7-11-17-18(13)4-2/h5-7,9-11,14,16H,3-4,8H2,1-2H3
InChIKeyRSTXUJLPDJCTBB-UHFFFAOYSA-N
XLogP2.39
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethylpyrazol-3-yl)-phenylmethyl]propan-1-amine
CID 63976584
N-[(2-ethylpyrazol-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923434
N-[(2-ethylpyrazol-3-yl)-(4-iodophenyl)methyl]propan-1-amine
CID 115858269
N-[(2,6-dichlorophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine
CID 115857934
N-[(2-ethylpyrazol-3-yl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 105148511
N-[(3-propyltriazol-4-yl)-pyridin-4-ylmethyl]propan-1-amine
CID 114687085
N-[(2-ethylpyrazol-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63976818
N-[(2,5-dibromophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine
CID 115857989
N-[(3-chloro-2-fluorophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine
CID 64713123
N-[(3-chloro-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 115858232
N-[pyridin-4-yl(pyrimidin-5-yl)methyl]propan-1-amine
CID 62491202
N-[(4-fluorophenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 63961802

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)-pyridin-4-ylmethyl]propan-1-amine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)-pyridin-4-ylmethyl]propan-1-amine (CID 63976367) is N-[(2-ethylpyrazol-3-yl)-pyridin-4-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)-pyridin-4-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)-pyridin-4-ylmethyl]propan-1-amine is CCCNC(c1ccncc1)c1ccnn1CC.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)-pyridin-4-ylmethyl]propan-1-amine?
The InChIKey is RSTXUJLPDJCTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-3-8-16-14(12-5-9-15-10-6-12)13-7-11-17-18(13)4-2/h5-7,9-11,14,16H,3-4,8H2,1-2H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)-pyridin-4-ylmethyl]propan-1-amine?
N-[(2-ethylpyrazol-3-yl)-pyridin-4-ylmethyl]propan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)-pyridin-4-ylmethyl]propan-1-amine is sourced from PubChem (CID 63976367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).