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

C13H26N4O — CID 106166926

IUPAC3-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)Nc1c(N)c(C(C)C)nn1C
InChIInChI=1S/C13H26N4O/c1-6-13(4,7-8-18)15-12-10(14)11(9(2)3)16-17(12)5/h9,15,18H,6-8,14H2,1-5H3
InChIKeyBEUZHBAQIKWMER-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.09
Rot. Bonds6

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

3-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methylpentan-1-ol (PubChem CID 106166926) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 3-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methylpentan-1-ol
PubChem CID106166926
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name3-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)Nc1c(N)c(C(C)C)nn1C
InChIInChI=1S/C13H26N4O/c1-6-13(4,7-8-18)15-12-10(14)11(9(2)3)16-17(12)5/h9,15,18H,6-8,14H2,1-5H3
InChIKeyBEUZHBAQIKWMER-UHFFFAOYSA-N
XLogP2.09
TPSA76.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methylpentan-1-ol?
The IUPAC name of 3-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methylpentan-1-ol (CID 106166926) is 3-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methylpentan-1-ol.
What is the SMILES notation for 3-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methylpentan-1-ol?
The canonical SMILES for 3-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methylpentan-1-ol is CCC(C)(CCO)Nc1c(N)c(C(C)C)nn1C.
What is the InChIKey of 3-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methylpentan-1-ol?
The InChIKey is BEUZHBAQIKWMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-6-13(4,7-8-18)15-12-10(14)11(9(2)3)16-17(12)5/h9,15,18H,6-8,14H2,1-5H3.
What are the key properties of 3-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methylpentan-1-ol?
3-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methylpentan-1-ol has a molecular weight of 254.38 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methylpentan-1-ol is sourced from PubChem (CID 106166926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).