5-[2-[3-(cyclopropylmethoxy)phenyl]ethyl]-1H-pyrazol-3-amine

C15H19N3O — CID 68877599

IUPAC5-[2-[3-(cyclopropylmethoxy)phenyl]ethyl]-1H-pyrazol-3-amine
SMILESNc1cc(CCc2cccc(OCC3CC3)c2)[nH]n1
InChIInChI=1S/C15H19N3O/c16-15-9-13(17-18-15)7-6-11-2-1-3-14(8-11)19-10-12-4-5-12/h1-3,8-9,12H,4-7,10H2,(H3,16,17,18)
InChIKeyLZXNOAFBKPJJGO-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.57
Rot. Bonds6

About 5-[2-[3-(cyclopropylmethoxy)phenyl]ethyl]-1H-pyrazol-3-amine

5-[2-[3-(cyclopropylmethoxy)phenyl]ethyl]-1H-pyrazol-3-amine (PubChem CID 68877599) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-[2-[3-(cyclopropylmethoxy)phenyl]ethyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[2-[3-(cyclopropylmethoxy)phenyl]ethyl]-1H-pyrazol-3-amine
PubChem CID68877599
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-[2-[3-(cyclopropylmethoxy)phenyl]ethyl]-1H-pyrazol-3-amine
SMILESNc1cc(CCc2cccc(OCC3CC3)c2)[nH]n1
InChIInChI=1S/C15H19N3O/c16-15-9-13(17-18-15)7-6-11-2-1-3-14(8-11)19-10-12-4-5-12/h1-3,8-9,12H,4-7,10H2,(H3,16,17,18)
InChIKeyLZXNOAFBKPJJGO-UHFFFAOYSA-N
XLogP2.57
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[3-(cyclopropylmethoxy)phenyl]ethyl]cyclopropan-1-amine
CID 105490106
4-[3-(cyclopropylmethoxy)phenyl]-1H-pyrazol-5-amine
CID 117330777
N-[[3-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine
CID 117283837
3-(piperidin-4-ylmethoxy)aniline
CID 89233329
2-[3-(cyclopropylmethoxy)phenyl]acetic acid
CID 61398066
5-[3-[(4-methylcyclohexyl)methoxy]phenyl]-2H-triazol-4-amine
CID 170147983
2-[3-(thietan-3-ylmethoxy)phenyl]ethanamine
CID 84688736
1-(cyclohexylmethoxy)-3-ethylbenzene
CID 64765854
1-[3-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459309
3-[3-(cyclopentylmethoxy)phenyl]-N-methylpropan-1-amine
CID 170001159
5-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1H-pyrazol-3-amine
CID 82085160
1-(7-tert-butylsulfonylheptyl)-3-(cyclopropylmethoxy)benzene
CID 159769567

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(cyclopropylmethoxy)phenyl]ethyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[2-[3-(cyclopropylmethoxy)phenyl]ethyl]-1H-pyrazol-3-amine (CID 68877599) is 5-[2-[3-(cyclopropylmethoxy)phenyl]ethyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[2-[3-(cyclopropylmethoxy)phenyl]ethyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[2-[3-(cyclopropylmethoxy)phenyl]ethyl]-1H-pyrazol-3-amine is Nc1cc(CCc2cccc(OCC3CC3)c2)[nH]n1.
What is the InChIKey of 5-[2-[3-(cyclopropylmethoxy)phenyl]ethyl]-1H-pyrazol-3-amine?
The InChIKey is LZXNOAFBKPJJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-15-9-13(17-18-15)7-6-11-2-1-3-14(8-11)19-10-12-4-5-12/h1-3,8-9,12H,4-7,10H2,(H3,16,17,18).
What are the key properties of 5-[2-[3-(cyclopropylmethoxy)phenyl]ethyl]-1H-pyrazol-3-amine?
5-[2-[3-(cyclopropylmethoxy)phenyl]ethyl]-1H-pyrazol-3-amine has a molecular weight of 257.34 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(cyclopropylmethoxy)phenyl]ethyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 68877599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).