2-methyl-3-[(1-propan-2-ylpyrazol-4-yl)amino]butan-2-ol

C11H21N3O — CID 65338216

IUPAC2-methyl-3-[(1-propan-2-ylpyrazol-4-yl)amino]butan-2-ol
SMILESCC(C)n1cc(NC(C)C(C)(C)O)cn1
InChIInChI=1S/C11H21N3O/c1-8(2)14-7-10(6-12-14)13-9(3)11(4,5)15/h6-9,13,15H,1-5H3
InChIKeyIAXBNMLGOHDUNT-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.04
Rot. Bonds4

About 2-methyl-3-[(1-propan-2-ylpyrazol-4-yl)amino]butan-2-ol

2-methyl-3-[(1-propan-2-ylpyrazol-4-yl)amino]butan-2-ol (PubChem CID 65338216) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-methyl-3-[(1-propan-2-ylpyrazol-4-yl)amino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-3-[(1-propan-2-ylpyrazol-4-yl)amino]butan-2-ol
PubChem CID65338216
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-methyl-3-[(1-propan-2-ylpyrazol-4-yl)amino]butan-2-ol
SMILESCC(C)n1cc(NC(C)C(C)(C)O)cn1
InChIInChI=1S/C11H21N3O/c1-8(2)14-7-10(6-12-14)13-9(3)11(4,5)15/h6-9,13,15H,1-5H3
InChIKeyIAXBNMLGOHDUNT-UHFFFAOYSA-N
XLogP2.04
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 62999988
N-[1-(4-tert-butylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine
CID 62904585
3-[(1-benzylpyrazol-4-yl)amino]-2-methylbutan-2-ol
CID 65337518
2-[(1-propan-2-ylpyrazol-4-yl)amino]acetic acid
CID 154882060
2-methyl-2-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]butan-1-ol
CID 81418743
N-(3-methylbutyl)-1-propan-2-ylpyrazol-4-amine
CID 62903175
N-[1-(4-methylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine
CID 62902276
N-nonan-2-yl-1-propan-2-ylpyrazol-4-amine
CID 63478238
N-[1-(2,6-difluorophenyl)ethyl]-1-propan-2-ylpyrazol-4-amine
CID 55130668
4-[(1-propan-2-ylpyrazol-4-yl)amino]benzoic acid
CID 62902330
1-N-(1-propan-2-ylpyrazol-4-yl)cyclobutane-1,3-diamine
CID 80562201
1-propan-2-yl-N-(3-propan-2-ylcyclobutyl)pyrazol-4-amine
CID 103561898

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(1-propan-2-ylpyrazol-4-yl)amino]butan-2-ol?
The IUPAC name of 2-methyl-3-[(1-propan-2-ylpyrazol-4-yl)amino]butan-2-ol (CID 65338216) is 2-methyl-3-[(1-propan-2-ylpyrazol-4-yl)amino]butan-2-ol.
What is the SMILES notation for 2-methyl-3-[(1-propan-2-ylpyrazol-4-yl)amino]butan-2-ol?
The canonical SMILES for 2-methyl-3-[(1-propan-2-ylpyrazol-4-yl)amino]butan-2-ol is CC(C)n1cc(NC(C)C(C)(C)O)cn1.
What is the InChIKey of 2-methyl-3-[(1-propan-2-ylpyrazol-4-yl)amino]butan-2-ol?
The InChIKey is IAXBNMLGOHDUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-8(2)14-7-10(6-12-14)13-9(3)11(4,5)15/h6-9,13,15H,1-5H3.
What are the key properties of 2-methyl-3-[(1-propan-2-ylpyrazol-4-yl)amino]butan-2-ol?
2-methyl-3-[(1-propan-2-ylpyrazol-4-yl)amino]butan-2-ol has a molecular weight of 211.31 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(1-propan-2-ylpyrazol-4-yl)amino]butan-2-ol is sourced from PubChem (CID 65338216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).