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

C15H27N3 — CID 107188815

IUPACN-[(2-ethylpyrazol-3-yl)-(2-methylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1ccnn1CC)C1CCCC1C
InChIInChI=1S/C15H27N3/c1-4-10-16-15(13-8-6-7-12(13)3)14-9-11-17-18(14)5-2/h9,11-13,15-16H,4-8,10H2,1-3H3
InChIKeyDGBSBDUGUDQGFT-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.38
Rot. Bonds6

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

N-[(2-ethylpyrazol-3-yl)-(2-methylcyclopentyl)methyl]propan-1-amine (PubChem CID 107188815) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)-(2-methylcyclopentyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)-(2-methylcyclopentyl)methyl]propan-1-amine
PubChem CID107188815
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[(2-ethylpyrazol-3-yl)-(2-methylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1ccnn1CC)C1CCCC1C
InChIInChI=1S/C15H27N3/c1-4-10-16-15(13-8-6-7-12(13)3)14-9-11-17-18(14)5-2/h9,11-13,15-16H,4-8,10H2,1-3H3
InChIKeyDGBSBDUGUDQGFT-UHFFFAOYSA-N
XLogP3.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)-(2-methylcyclopentyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)-(2-methylcyclopentyl)methyl]propan-1-amine (CID 107188815) is N-[(2-ethylpyrazol-3-yl)-(2-methylcyclopentyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)-(2-methylcyclopentyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)-(2-methylcyclopentyl)methyl]propan-1-amine is CCCNC(c1ccnn1CC)C1CCCC1C.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)-(2-methylcyclopentyl)methyl]propan-1-amine?
The InChIKey is DGBSBDUGUDQGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-10-16-15(13-8-6-7-12(13)3)14-9-11-17-18(14)5-2/h9,11-13,15-16H,4-8,10H2,1-3H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)-(2-methylcyclopentyl)methyl]propan-1-amine?
N-[(2-ethylpyrazol-3-yl)-(2-methylcyclopentyl)methyl]propan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.38, 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)-(2-methylcyclopentyl)methyl]propan-1-amine is sourced from PubChem (CID 107188815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).