(2S)-1-amino-3-(3-methylpyrazol-1-yl)propan-2-ol

C7H13N3O — CID 95366494

IUPAC(2S)-1-amino-3-(3-methylpyrazol-1-yl)propan-2-ol
SMILESCc1ccn(C[C@@H](O)CN)n1
InChIInChI=1S/C7H13N3O/c1-6-2-3-10(9-6)5-7(11)4-8/h2-3,7,11H,4-5,8H2,1H3/t7-/m0/s1
InChIKeyUNIPYDWKQCJEKC-ZETCQYMHSA-N
MW155.20 g/mol
LogP-0.49
Rot. Bonds3

About (2S)-1-amino-3-(3-methylpyrazol-1-yl)propan-2-ol

(2S)-1-amino-3-(3-methylpyrazol-1-yl)propan-2-ol (PubChem CID 95366494) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is (2S)-1-amino-3-(3-methylpyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-amino-3-(3-methylpyrazol-1-yl)propan-2-ol
PubChem CID95366494
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name(2S)-1-amino-3-(3-methylpyrazol-1-yl)propan-2-ol
SMILESCc1ccn(C[C@@H](O)CN)n1
InChIInChI=1S/C7H13N3O/c1-6-2-3-10(9-6)5-7(11)4-8/h2-3,7,11H,4-5,8H2,1H3/t7-/m0/s1
InChIKeyUNIPYDWKQCJEKC-ZETCQYMHSA-N
XLogP-0.49
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-4-(3-methylpyrazol-1-yl)butan-2-ol
CID 64821875
(2S)-2-methyl-3-(3-methylpyrazol-1-yl)propan-1-amine
CID 42552280
2-amino-3-(3-methylpyrazol-1-yl)propan-1-ol
CID 64809484
1-[bis(prop-2-enyl)amino]-3-(3-methylpyrazol-1-yl)propan-2-ol
CID 3397368
(2S)-1-[bis(prop-2-enyl)amino]-3-(3-methylpyrazol-1-yl)propan-2-ol
CID 40560868
4-(dimethylamino)-3,3-dimethyl-1-(3-methylpyrazol-1-yl)butan-2-ol
CID 117068366
1-(4-fluorophenyl)-2-(3-methylpyrazol-1-yl)ethanamine
CID 107522751
1-ethyl-3-methylpyrazole
CID 12002774
methyl 3-(3-methylpyrazol-1-yl)-2-phenylpropanoate
CID 64565827
methyl 2-acetamido-3-(3-methylpyrazol-1-yl)propanoate
CID 65442631
2-amino-4-(3-methylpyrazol-1-yl)butan-1-ol
CID 64810529
2-acetamido-3-(3-methylpyrazol-1-yl)propanoic acid
CID 64582293

Frequently Asked Questions

What is the IUPAC name of (2S)-1-amino-3-(3-methylpyrazol-1-yl)propan-2-ol?
The IUPAC name of (2S)-1-amino-3-(3-methylpyrazol-1-yl)propan-2-ol (CID 95366494) is (2S)-1-amino-3-(3-methylpyrazol-1-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-amino-3-(3-methylpyrazol-1-yl)propan-2-ol?
The canonical SMILES for (2S)-1-amino-3-(3-methylpyrazol-1-yl)propan-2-ol is Cc1ccn(C[C@@H](O)CN)n1.
What is the InChIKey of (2S)-1-amino-3-(3-methylpyrazol-1-yl)propan-2-ol?
The InChIKey is UNIPYDWKQCJEKC-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H13N3O/c1-6-2-3-10(9-6)5-7(11)4-8/h2-3,7,11H,4-5,8H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-1-amino-3-(3-methylpyrazol-1-yl)propan-2-ol?
(2S)-1-amino-3-(3-methylpyrazol-1-yl)propan-2-ol has a molecular weight of 155.20 g/mol, XLogP of -0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-amino-3-(3-methylpyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 95366494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).