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

C11H22N4O — CID 104551173

IUPAC2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-methylamino]propan-1-ol
SMILESCc1nn(C(C)C)c(N(C)C(C)CO)c1N
InChIInChI=1S/C11H22N4O/c1-7(2)15-11(10(12)9(4)13-15)14(5)8(3)6-16/h7-8,16H,6,12H2,1-5H3
InChIKeyUZWMCLRAXGJQJL-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.17
Rot. Bonds4

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

2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-methylamino]propan-1-ol (PubChem CID 104551173) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-methylamino]propan-1-ol
PubChem CID104551173
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-methylamino]propan-1-ol
SMILESCc1nn(C(C)C)c(N(C)C(C)CO)c1N
InChIInChI=1S/C11H22N4O/c1-7(2)15-11(10(12)9(4)13-15)14(5)8(3)6-16/h7-8,16H,6,12H2,1-5H3
InChIKeyUZWMCLRAXGJQJL-UHFFFAOYSA-N
XLogP1.17
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-butan-2-yl-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66029669
2-[(4-amino-1,3-dimethylpyrazol-5-yl)-methylamino]propan-1-ol
CID 104551141
5-N,3-dimethyl-1-propan-2-yl-5-N-propylpyrazole-4,5-diamine
CID 66029474
5-N-methoxy-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66027938
2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-(2-amino-2-oxoethyl)amino]acetamide
CID 66027391
5-N,5-N-dibutyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66027530
2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]propan-1-ol
CID 66029865
1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-methylamino]-3-methoxypropan-2-ol
CID 66027958
5-N,5-N-bis(2-ethoxyethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 82959710
(2S)-2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-3-methylbutan-1-ol
CID 79248672
5-N-(cyclobutylmethyl)-5-N-ethyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 107397231
5-N-[[1-(dimethylamino)cyclobutyl]methyl]-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine
CID 105414216

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-methylamino]propan-1-ol?
The IUPAC name of 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-methylamino]propan-1-ol (CID 104551173) is 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-methylamino]propan-1-ol.
What is the SMILES notation for 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-methylamino]propan-1-ol?
The canonical SMILES for 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-methylamino]propan-1-ol is Cc1nn(C(C)C)c(N(C)C(C)CO)c1N.
What is the InChIKey of 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-methylamino]propan-1-ol?
The InChIKey is UZWMCLRAXGJQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-7(2)15-11(10(12)9(4)13-15)14(5)8(3)6-16/h7-8,16H,6,12H2,1-5H3.
What are the key properties of 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-methylamino]propan-1-ol?
2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-methylamino]propan-1-ol has a molecular weight of 226.32 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-methylamino]propan-1-ol is sourced from PubChem (CID 104551173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).