2-amino-1-(1-ethyl-3-propan-2-ylpyrazol-4-yl)ethanol

C10H19N3O — CID 112713077

IUPAC2-amino-1-(1-ethyl-3-propan-2-ylpyrazol-4-yl)ethanol
SMILESCCn1cc(C(O)CN)c(C(C)C)n1
InChIInChI=1S/C10H19N3O/c1-4-13-6-8(9(14)5-11)10(12-13)7(2)3/h6-7,9,14H,4-5,11H2,1-3H3
InChIKeyRRMPSRJVLKWALM-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.02
Rot. Bonds4

About 2-amino-1-(1-ethyl-3-propan-2-ylpyrazol-4-yl)ethanol

2-amino-1-(1-ethyl-3-propan-2-ylpyrazol-4-yl)ethanol (PubChem CID 112713077) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-amino-1-(1-ethyl-3-propan-2-ylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(1-ethyl-3-propan-2-ylpyrazol-4-yl)ethanol
PubChem CID112713077
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-amino-1-(1-ethyl-3-propan-2-ylpyrazol-4-yl)ethanol
SMILESCCn1cc(C(O)CN)c(C(C)C)n1
InChIInChI=1S/C10H19N3O/c1-4-13-6-8(9(14)5-11)10(12-13)7(2)3/h6-7,9,14H,4-5,11H2,1-3H3
InChIKeyRRMPSRJVLKWALM-UHFFFAOYSA-N
XLogP1.02
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(1-ethylpyrazol-4-yl)ethanol
CID 55264385
3-chloro-1-ethyl-4-propan-2-ylpyrazole
CID 123789660
1-(1-ethyl-3-methylpyrazol-4-yl)ethanamine;dihydrochloride
CID 90482954
2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 130166119
(Z)-2-[(1-ethyl-3-propan-2-ylpyrazol-4-yl)-hydroxymethyl]-3-(methylamino)prop-2-enimidoyl bromide;(Z)-2-[(1-ethyl-3-propan-2-ylpyrazol-4-yl)methyl]-3-(methylamino)prop-2-enimidoyl bromide
CID 164997171
(1R)-2-amino-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83000950
(3-bromo-1-ethylpyrazol-4-yl)-(3-iodo-1-methylpyrazol-4-yl)methanol
CID 164718543
2-amino-1-[1-(2-methylpropyl)pyrazol-4-yl]ethanol
CID 82407041
1-(1-ethyl-3-methylpyrazol-4-yl)-N-methylethanamine
CID 23005800
4-chloro-1-ethylpyrazol-3-amine
CID 19576739
3-amino-1-ethylpyrazole-4-thiol
CID 166717856
3-amino-1-ethyl-N-(3-hydroxybutyl)pyrazole-4-sulfonamide
CID 64929208

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1-ethyl-3-propan-2-ylpyrazol-4-yl)ethanol?
The IUPAC name of 2-amino-1-(1-ethyl-3-propan-2-ylpyrazol-4-yl)ethanol (CID 112713077) is 2-amino-1-(1-ethyl-3-propan-2-ylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-amino-1-(1-ethyl-3-propan-2-ylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-amino-1-(1-ethyl-3-propan-2-ylpyrazol-4-yl)ethanol is CCn1cc(C(O)CN)c(C(C)C)n1.
What is the InChIKey of 2-amino-1-(1-ethyl-3-propan-2-ylpyrazol-4-yl)ethanol?
The InChIKey is RRMPSRJVLKWALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-13-6-8(9(14)5-11)10(12-13)7(2)3/h6-7,9,14H,4-5,11H2,1-3H3.
What are the key properties of 2-amino-1-(1-ethyl-3-propan-2-ylpyrazol-4-yl)ethanol?
2-amino-1-(1-ethyl-3-propan-2-ylpyrazol-4-yl)ethanol has a molecular weight of 197.28 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1-ethyl-3-propan-2-ylpyrazol-4-yl)ethanol is sourced from PubChem (CID 112713077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).