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

C12H24N4O — CID 79248672

IUPAC(2S)-2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-3-methylbutan-1-ol
SMILESCc1nn(C(C)C)c(N[C@H](CO)C(C)C)c1N
InChIInChI=1S/C12H24N4O/c1-7(2)10(6-17)14-12-11(13)9(5)15-16(12)8(3)4/h7-8,10,14,17H,6,13H2,1-5H3/t10-/m1/s1
InChIKeyJKTPFDTYRRTJJT-SNVBAGLBSA-N
MW240.35 g/mol
LogP1.78
Rot. Bonds5

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

(2S)-2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-3-methylbutan-1-ol (PubChem CID 79248672) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is (2S)-2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-3-methylbutan-1-ol
PubChem CID79248672
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name(2S)-2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-3-methylbutan-1-ol
SMILESCc1nn(C(C)C)c(N[C@H](CO)C(C)C)c1N
InChIInChI=1S/C12H24N4O/c1-7(2)10(6-17)14-12-11(13)9(5)15-16(12)8(3)4/h7-8,10,14,17H,6,13H2,1-5H3/t10-/m1/s1
InChIKeyJKTPFDTYRRTJJT-SNVBAGLBSA-N
XLogP1.78
TPSA76.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-3-methylbutan-1-ol (CID 79248672) is (2S)-2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-3-methylbutan-1-ol is Cc1nn(C(C)C)c(N[C@H](CO)C(C)C)c1N.
What is the InChIKey of (2S)-2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-3-methylbutan-1-ol?
The InChIKey is JKTPFDTYRRTJJT-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H24N4O/c1-7(2)10(6-17)14-12-11(13)9(5)15-16(12)8(3)4/h7-8,10,14,17H,6,13H2,1-5H3/t10-/m1/s1.
What are the key properties of (2S)-2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-3-methylbutan-1-ol?
(2S)-2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-3-methylbutan-1-ol has a molecular weight of 240.35 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 79248672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).