1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]ethanol

C9H18N4O — CID 70039786

IUPAC1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]ethanol
SMILESCc1nn(C(C)C)c(NC(C)O)c1N
InChIInChI=1S/C9H18N4O/c1-5(2)13-9(11-7(4)14)8(10)6(3)12-13/h5,7,11,14H,10H2,1-4H3
InChIKeyONXIHFOVDNITEV-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.10
Rot. Bonds3

About 1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]ethanol

1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]ethanol (PubChem CID 70039786) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]ethanol.

Molecular Properties

Compound Name1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]ethanol
PubChem CID70039786
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]ethanol
SMILESCc1nn(C(C)C)c(NC(C)O)c1N
InChIInChI=1S/C9H18N4O/c1-5(2)13-9(11-7(4)14)8(10)6(3)12-13/h5,7,11,14H,10H2,1-4H3
InChIKeyONXIHFOVDNITEV-UHFFFAOYSA-N
XLogP1.10
TPSA76.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N5-ethyl-1,3-dimethyl-1H-pyrazole-4,5-diamine hydrochloride
CID 154857210
N5-Ethyl-1,3-dimethyl-1H-pyrazole-4,5-diamine
CID 43554024
1,3-dimethyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine
CID 63226212
1,3-dimethyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine
CID 63828161
1-ethyl-3-methyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine
CID 66011692
1-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 66012005
1-ethyl-3-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine
CID 66012666
3-methyl-1-propan-2-yl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine
CID 66023704
3-methyl-1-propan-2-yl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine
CID 66025476
3-methyl-1-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 66027598
3-methyl-1-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 66028493
3-methyl-1-propyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine
CID 66029021

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]ethanol?
The IUPAC name of 1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]ethanol (CID 70039786) is 1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]ethanol.
What is the SMILES notation for 1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]ethanol?
The canonical SMILES for 1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]ethanol is Cc1nn(C(C)C)c(NC(C)O)c1N.
What is the InChIKey of 1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]ethanol?
The InChIKey is ONXIHFOVDNITEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-5(2)13-9(11-7(4)14)8(10)6(3)12-13/h5,7,11,14H,10H2,1-4H3.
What are the key properties of 1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]ethanol?
1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]ethanol has a molecular weight of 198.27 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]ethanol is sourced from PubChem (CID 70039786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).