2-amino-2-(3-chloro-5-propan-2-yl-1H-pyrazol-4-yl)ethanol

C8H14ClN3O — CID 83881725

IUPAC2-amino-2-(3-chloro-5-propan-2-yl-1H-pyrazol-4-yl)ethanol
SMILESCC(C)c1[nH]nc(Cl)c1C(N)CO
InChIInChI=1S/C8H14ClN3O/c1-4(2)7-6(5(10)3-13)8(9)12-11-7/h4-5,13H,3,10H2,1-2H3,(H,11,12)
InChIKeyHGICWXVFRBJQRH-UHFFFAOYSA-N
MW203.67 g/mol
LogP1.18
Rot. Bonds3

About 2-amino-2-(3-chloro-5-propan-2-yl-1H-pyrazol-4-yl)ethanol

2-amino-2-(3-chloro-5-propan-2-yl-1H-pyrazol-4-yl)ethanol (PubChem CID 83881725) has the molecular formula C8H14ClN3O and a molecular weight of 203.67 g/mol. Its IUPAC name is 2-amino-2-(3-chloro-5-propan-2-yl-1H-pyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(3-chloro-5-propan-2-yl-1H-pyrazol-4-yl)ethanol
PubChem CID83881725
Molecular FormulaC8H14ClN3O
Molecular Weight203.67 g/mol
Exact Mass203.08
IUPAC Name2-amino-2-(3-chloro-5-propan-2-yl-1H-pyrazol-4-yl)ethanol
SMILESCC(C)c1[nH]nc(Cl)c1C(N)CO
InChIInChI=1S/C8H14ClN3O/c1-4(2)7-6(5(10)3-13)8(9)12-11-7/h4-5,13H,3,10H2,1-2H3,(H,11,12)
InChIKeyHGICWXVFRBJQRH-UHFFFAOYSA-N
XLogP1.18
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-chloro-5-propan-2-yl-1H-pyrazol-4-yl)ethanol?
The IUPAC name of 2-amino-2-(3-chloro-5-propan-2-yl-1H-pyrazol-4-yl)ethanol (CID 83881725) is 2-amino-2-(3-chloro-5-propan-2-yl-1H-pyrazol-4-yl)ethanol.
What is the SMILES notation for 2-amino-2-(3-chloro-5-propan-2-yl-1H-pyrazol-4-yl)ethanol?
The canonical SMILES for 2-amino-2-(3-chloro-5-propan-2-yl-1H-pyrazol-4-yl)ethanol is CC(C)c1[nH]nc(Cl)c1C(N)CO.
What is the InChIKey of 2-amino-2-(3-chloro-5-propan-2-yl-1H-pyrazol-4-yl)ethanol?
The InChIKey is HGICWXVFRBJQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3O/c1-4(2)7-6(5(10)3-13)8(9)12-11-7/h4-5,13H,3,10H2,1-2H3,(H,11,12).
What are the key properties of 2-amino-2-(3-chloro-5-propan-2-yl-1H-pyrazol-4-yl)ethanol?
2-amino-2-(3-chloro-5-propan-2-yl-1H-pyrazol-4-yl)ethanol has a molecular weight of 203.67 g/mol, XLogP of 1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-chloro-5-propan-2-yl-1H-pyrazol-4-yl)ethanol is sourced from PubChem (CID 83881725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).