(2S)-1-amino-2-(1-methylpyrazol-4-yl)propan-2-ol

C7H13N3O — CID 95396406

IUPAC(2S)-1-amino-2-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCn1cc([C@](C)(O)CN)cn1
InChIInChI=1S/C7H13N3O/c1-7(11,5-8)6-3-9-10(2)4-6/h3-4,11H,5,8H2,1-2H3/t7-/m1/s1
InChIKeyTYVNHUYYFGJCRL-SSDOTTSWSA-N
MW155.20 g/mol
LogP-0.41
Rot. Bonds2

About (2S)-1-amino-2-(1-methylpyrazol-4-yl)propan-2-ol

(2S)-1-amino-2-(1-methylpyrazol-4-yl)propan-2-ol (PubChem CID 95396406) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is (2S)-1-amino-2-(1-methylpyrazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-amino-2-(1-methylpyrazol-4-yl)propan-2-ol
PubChem CID95396406
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name(2S)-1-amino-2-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCn1cc([C@](C)(O)CN)cn1
InChIInChI=1S/C7H13N3O/c1-7(11,5-8)6-3-9-10(2)4-6/h3-4,11H,5,8H2,1-2H3/t7-/m1/s1
InChIKeyTYVNHUYYFGJCRL-SSDOTTSWSA-N
XLogP-0.41
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(methylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 66036984
2-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)propan-2-ol
CID 66039398
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide
CID 111458807
2-(1-methylpyrazol-4-yl)-1-[(5-methylpyrimidin-2-yl)amino]propan-2-ol
CID 133403121
1-(2-methoxyethylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 66038024
2-hydroxy-2-(1-methylpyrazol-4-yl)propanoic acid
CID 82412575
tert-butyl N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]carbamate
CID 71967740
1-amino-2-methyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103006669
1-(2-methylcyclopropyl)-1-(1-methylpyrazol-4-yl)ethanol
CID 130705017
2,6-dimethyl-4-(1-methylpyrazol-4-yl)heptan-4-ol
CID 114865466
1-[(4-ethylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111457689
1-[(4,4-dimethylcyclohexyl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111467303

Frequently Asked Questions

What is the IUPAC name of (2S)-1-amino-2-(1-methylpyrazol-4-yl)propan-2-ol?
The IUPAC name of (2S)-1-amino-2-(1-methylpyrazol-4-yl)propan-2-ol (CID 95396406) is (2S)-1-amino-2-(1-methylpyrazol-4-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-amino-2-(1-methylpyrazol-4-yl)propan-2-ol?
The canonical SMILES for (2S)-1-amino-2-(1-methylpyrazol-4-yl)propan-2-ol is Cn1cc([C@](C)(O)CN)cn1.
What is the InChIKey of (2S)-1-amino-2-(1-methylpyrazol-4-yl)propan-2-ol?
The InChIKey is TYVNHUYYFGJCRL-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H13N3O/c1-7(11,5-8)6-3-9-10(2)4-6/h3-4,11H,5,8H2,1-2H3/t7-/m1/s1.
What are the key properties of (2S)-1-amino-2-(1-methylpyrazol-4-yl)propan-2-ol?
(2S)-1-amino-2-(1-methylpyrazol-4-yl)propan-2-ol has a molecular weight of 155.20 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-amino-2-(1-methylpyrazol-4-yl)propan-2-ol is sourced from PubChem (CID 95396406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).