(1R)-N-[(1-ethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine

C12H17N3O — CID 81400661

IUPAC(1R)-N-[(1-ethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
SMILESCCn1cc(CN[C@H](C)c2ccco2)cn1
InChIInChI=1S/C12H17N3O/c1-3-15-9-11(8-14-15)7-13-10(2)12-5-4-6-16-12/h4-6,8-10,13H,3,7H2,1-2H3/t10-/m1/s1
InChIKeyKMUGRAVYMPNWLE-SNVBAGLBSA-N
MW219.29 g/mol
LogP2.35
Rot. Bonds5

About (1R)-N-[(1-ethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine

(1R)-N-[(1-ethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine (PubChem CID 81400661) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is (1R)-N-[(1-ethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(1-ethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
PubChem CID81400661
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name(1R)-N-[(1-ethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
SMILESCCn1cc(CN[C@H](C)c2ccco2)cn1
InChIInChI=1S/C12H17N3O/c1-3-15-9-11(8-14-15)7-13-10(2)12-5-4-6-16-12/h4-6,8-10,13H,3,7H2,1-2H3/t10-/m1/s1
InChIKeyKMUGRAVYMPNWLE-SNVBAGLBSA-N
XLogP2.35
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
CID 81391965
(1R)-1-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81402958
2-(1-ethylpyrazol-4-yl)-1-(furan-2-yl)ethanol
CID 62717465
2-(1-ethylpyrazol-4-yl)-1-(furan-2-yl)ethanamine
CID 62716130
(1S)-1-(2-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 81378018
1-(5-chlorothiophen-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 62125652
1-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 19625638
1-(furan-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437580
1-[(1-benzylpyrazol-4-yl)methyl]-3-[(1S)-1-(furan-2-yl)ethyl]urea
CID 94166163
(1R)-1-(furan-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
CID 51675922
1-(furan-2-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682172
3-[(1-ethylpyrazol-4-yl)methylamino]butan-1-ol
CID 78998031

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(1-ethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine?
The IUPAC name of (1R)-N-[(1-ethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine (CID 81400661) is (1R)-N-[(1-ethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine.
What is the SMILES notation for (1R)-N-[(1-ethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine?
The canonical SMILES for (1R)-N-[(1-ethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine is CCn1cc(CN[C@H](C)c2ccco2)cn1.
What is the InChIKey of (1R)-N-[(1-ethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine?
The InChIKey is KMUGRAVYMPNWLE-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17N3O/c1-3-15-9-11(8-14-15)7-13-10(2)12-5-4-6-16-12/h4-6,8-10,13H,3,7H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-N-[(1-ethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine?
(1R)-N-[(1-ethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine has a molecular weight of 219.29 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(1-ethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 81400661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).