2-[(1S)-1-(furan-2-yl)ethyl]-5-methylpyrazol-3-amine

C10H13N3O — CID 7289531

IUPAC2-[(1S)-1-(furan-2-yl)ethyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)n([C@@H](C)c2ccco2)n1
InChIInChI=1S/C10H13N3O/c1-7-6-10(11)13(12-7)8(2)9-4-3-5-14-9/h3-6,8H,11H2,1-2H3/t8-/m0/s1
InChIKeyZDWMQSHAQXXRPM-QMMMGPOBSA-N
MW191.23 g/mol
LogP1.98
Rot. Bonds2

About 2-[(1S)-1-(furan-2-yl)ethyl]-5-methylpyrazol-3-amine

2-[(1S)-1-(furan-2-yl)ethyl]-5-methylpyrazol-3-amine (PubChem CID 7289531) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-[(1S)-1-(furan-2-yl)ethyl]-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name2-[(1S)-1-(furan-2-yl)ethyl]-5-methylpyrazol-3-amine
PubChem CID7289531
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-[(1S)-1-(furan-2-yl)ethyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)n([C@@H](C)c2ccco2)n1
InChIInChI=1S/C10H13N3O/c1-7-6-10(11)13(12-7)8(2)9-4-3-5-14-9/h3-6,8H,11H2,1-2H3/t8-/m0/s1
InChIKeyZDWMQSHAQXXRPM-QMMMGPOBSA-N
XLogP1.98
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(furan-2-yl)ethyl]-5-methylpyrazol-3-amine
CID 3154165
5-methyl-2-[(1S)-1-thiophen-3-ylethyl]pyrazol-3-amine
CID 94347044
5-N-[1-(furan-2-yl)ethyl]-1,3-dimethylpyrazole-4,5-diamine
CID 43554339
(2-ethyl-5-methylpyrazol-3-yl)-(furan-2-yl)methanamine
CID 105146979
1-(1-cyclopropylethyl)-3-(furan-2-yl)pyrazol-5-amine
CID 61271706
N-[(1R)-1-(furan-2-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95870518
2-ethyl-1-[1-(furan-2-yl)ethyl]benzimidazol-5-amine
CID 62506379
3-N-[1-(furan-2-yl)ethyl]benzene-1,3-diamine
CID 43535637
3-[1-(furan-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine
CID 79288522
4-[1-(furan-2-yl)ethyl]thiomorpholine
CID 130749822
(2R)-N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(furan-2-yl)ethyl]propanamide
CID 97314451
(2S)-N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(furan-2-yl)ethyl]propanamide
CID 97314450

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(furan-2-yl)ethyl]-5-methylpyrazol-3-amine?
The IUPAC name of 2-[(1S)-1-(furan-2-yl)ethyl]-5-methylpyrazol-3-amine (CID 7289531) is 2-[(1S)-1-(furan-2-yl)ethyl]-5-methylpyrazol-3-amine.
What is the SMILES notation for 2-[(1S)-1-(furan-2-yl)ethyl]-5-methylpyrazol-3-amine?
The canonical SMILES for 2-[(1S)-1-(furan-2-yl)ethyl]-5-methylpyrazol-3-amine is Cc1cc(N)n([C@@H](C)c2ccco2)n1.
What is the InChIKey of 2-[(1S)-1-(furan-2-yl)ethyl]-5-methylpyrazol-3-amine?
The InChIKey is ZDWMQSHAQXXRPM-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13N3O/c1-7-6-10(11)13(12-7)8(2)9-4-3-5-14-9/h3-6,8H,11H2,1-2H3/t8-/m0/s1.
What are the key properties of 2-[(1S)-1-(furan-2-yl)ethyl]-5-methylpyrazol-3-amine?
2-[(1S)-1-(furan-2-yl)ethyl]-5-methylpyrazol-3-amine has a molecular weight of 191.23 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(furan-2-yl)ethyl]-5-methylpyrazol-3-amine is sourced from PubChem (CID 7289531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).