(2S)-3-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butan-1-ol

C14H22N4O — CID 114983251

IUPAC(2S)-3-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butan-1-ol
SMILESCC(C)c1cc2c(N[C@H](CO)C(C)C)nccn2n1
InChIInChI=1S/C14H22N4O/c1-9(2)11-7-13-14(15-5-6-18(13)17-11)16-12(8-19)10(3)4/h5-7,9-10,12,19H,8H2,1-4H3,(H,15,16)/t12-/m1/s1
InChIKeyKHXSTXMYJMZTOY-GFCCVEGCSA-N
MW262.36 g/mol
LogP2.28
Rot. Bonds5

About (2S)-3-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butan-1-ol

(2S)-3-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butan-1-ol (PubChem CID 114983251) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is (2S)-3-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name(2S)-3-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butan-1-ol
PubChem CID114983251
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name(2S)-3-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butan-1-ol
SMILESCC(C)c1cc2c(N[C@H](CO)C(C)C)nccn2n1
InChIInChI=1S/C14H22N4O/c1-9(2)11-7-13-14(15-5-6-18(13)17-11)16-12(8-19)10(3)4/h5-7,9-10,12,19H,8H2,1-4H3,(H,15,16)/t12-/m1/s1
InChIKeyKHXSTXMYJMZTOY-GFCCVEGCSA-N
XLogP2.28
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-3-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butan-1-ol with MolForge

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Related Compounds

methyl 3-hydroxy-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate
CID 104733378
N-(3-ethylpentan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104731511
N-ethyl-N-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanamide
CID 103111606
4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentanoic acid
CID 104729549
4,4-dimethyl-3-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,3-diamine
CID 106357724
N-pent-1-yn-3-yl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 114161412
N-(4-methoxybutan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104731643
2-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,2-diamine
CID 104732624
2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethylurea
CID 104732037
2-methyl-3-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid
CID 113446134
4,4-dimethyl-1-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentan-2-ol
CID 107153114
methyl 2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetate
CID 104730488

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butan-1-ol?
The IUPAC name of (2S)-3-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butan-1-ol (CID 114983251) is (2S)-3-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butan-1-ol.
What is the SMILES notation for (2S)-3-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butan-1-ol?
The canonical SMILES for (2S)-3-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butan-1-ol is CC(C)c1cc2c(N[C@H](CO)C(C)C)nccn2n1.
What is the InChIKey of (2S)-3-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butan-1-ol?
The InChIKey is KHXSTXMYJMZTOY-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N4O/c1-9(2)11-7-13-14(15-5-6-18(13)17-11)16-12(8-19)10(3)4/h5-7,9-10,12,19H,8H2,1-4H3,(H,15,16)/t12-/m1/s1.
What are the key properties of (2S)-3-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butan-1-ol?
(2S)-3-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butan-1-ol has a molecular weight of 262.36 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 114983251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).