N-[(2-ethylpyrazol-3-yl)-phenylmethyl]propan-1-amine

C15H21N3 — CID 63976584

IUPACN-[(2-ethylpyrazol-3-yl)-phenylmethyl]propan-1-amine
SMILESCCCNC(c1ccccc1)c1ccnn1CC
InChIInChI=1S/C15H21N3/c1-3-11-16-15(13-8-6-5-7-9-13)14-10-12-17-18(14)4-2/h5-10,12,15-16H,3-4,11H2,1-2H3
InChIKeyUCGUSCPTECAPSS-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.99
Rot. Bonds6

About N-[(2-ethylpyrazol-3-yl)-phenylmethyl]propan-1-amine

N-[(2-ethylpyrazol-3-yl)-phenylmethyl]propan-1-amine (PubChem CID 63976584) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)-phenylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)-phenylmethyl]propan-1-amine
PubChem CID63976584
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[(2-ethylpyrazol-3-yl)-phenylmethyl]propan-1-amine
SMILESCCCNC(c1ccccc1)c1ccnn1CC
InChIInChI=1S/C15H21N3/c1-3-11-16-15(13-8-6-5-7-9-13)14-10-12-17-18(14)4-2/h5-10,12,15-16H,3-4,11H2,1-2H3
InChIKeyUCGUSCPTECAPSS-UHFFFAOYSA-N
XLogP2.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethylpyrazol-3-yl)-pyridin-4-ylmethyl]propan-1-amine
CID 63976367
N-[(2-ethylpyrazol-3-yl)-(4-iodophenyl)methyl]propan-1-amine
CID 115858269
N-[(2-ethylpyrazol-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923434
N-[(2,6-dichlorophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine
CID 115857934
N-[(3-chloro-2-fluorophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine
CID 64713123
N-[(2-ethylpyrazol-3-yl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 105148511
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-[1-(2-ethylpyrazol-3-yl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63977027
N-[(3-chloro-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 115858232
N-[(2-ethylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine
CID 63975523
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)-phenylmethyl]propan-1-amine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)-phenylmethyl]propan-1-amine (CID 63976584) is N-[(2-ethylpyrazol-3-yl)-phenylmethyl]propan-1-amine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)-phenylmethyl]propan-1-amine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)-phenylmethyl]propan-1-amine is CCCNC(c1ccccc1)c1ccnn1CC.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)-phenylmethyl]propan-1-amine?
The InChIKey is UCGUSCPTECAPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-11-16-15(13-8-6-5-7-9-13)14-10-12-17-18(14)4-2/h5-10,12,15-16H,3-4,11H2,1-2H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)-phenylmethyl]propan-1-amine?
N-[(2-ethylpyrazol-3-yl)-phenylmethyl]propan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)-phenylmethyl]propan-1-amine is sourced from PubChem (CID 63976584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).