(2S)-2-methyl-3-(3-methylpyrazol-1-yl)propan-1-amine

C8H15N3 — CID 42552280

IUPAC(2S)-2-methyl-3-(3-methylpyrazol-1-yl)propan-1-amine
SMILESCc1ccn(C[C@@H](C)CN)n1
InChIInChI=1S/C8H15N3/c1-7(5-9)6-11-4-3-8(2)10-11/h3-4,7H,5-6,9H2,1-2H3/t7-/m0/s1
InChIKeyYQODDCBFIKJEFD-ZETCQYMHSA-N
MW153.23 g/mol
LogP0.79
Rot. Bonds3

About (2S)-2-methyl-3-(3-methylpyrazol-1-yl)propan-1-amine

(2S)-2-methyl-3-(3-methylpyrazol-1-yl)propan-1-amine (PubChem CID 42552280) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is (2S)-2-methyl-3-(3-methylpyrazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name(2S)-2-methyl-3-(3-methylpyrazol-1-yl)propan-1-amine
PubChem CID42552280
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name(2S)-2-methyl-3-(3-methylpyrazol-1-yl)propan-1-amine
SMILESCc1ccn(C[C@@H](C)CN)n1
InChIInChI=1S/C8H15N3/c1-7(5-9)6-11-4-3-8(2)10-11/h3-4,7H,5-6,9H2,1-2H3/t7-/m0/s1
InChIKeyYQODDCBFIKJEFD-ZETCQYMHSA-N
XLogP0.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-amino-3-(3-methylpyrazol-1-yl)propan-2-ol
CID 95366494
2-amino-3-(3-methylpyrazol-1-yl)propan-1-ol
CID 64809484
1-amino-4-(3-methylpyrazol-1-yl)butan-2-ol
CID 64821875
1-(4-fluorophenyl)-2-(3-methylpyrazol-1-yl)ethanamine
CID 107522751
1-ethyl-3-methylpyrazole
CID 12002774
1-(2-methylbutyl)pyrazol-3-amine
CID 62103459
argon;ethane;1-ethyl-3-methylpyrazole
CID 160730731
1-(3-fluoropropyl)-3-methylpyrazole
CID 81114293
(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
CID 42574565
1-(2-methylpentyl)pyrazol-3-amine
CID 62267103
methyl 2-acetamido-3-(3-methylpyrazol-1-yl)propanoate
CID 65442631
methyl 3-(3-methylpyrazol-1-yl)-2-phenylpropanoate
CID 64565827

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3-(3-methylpyrazol-1-yl)propan-1-amine?
The IUPAC name of (2S)-2-methyl-3-(3-methylpyrazol-1-yl)propan-1-amine (CID 42552280) is (2S)-2-methyl-3-(3-methylpyrazol-1-yl)propan-1-amine.
What is the SMILES notation for (2S)-2-methyl-3-(3-methylpyrazol-1-yl)propan-1-amine?
The canonical SMILES for (2S)-2-methyl-3-(3-methylpyrazol-1-yl)propan-1-amine is Cc1ccn(C[C@@H](C)CN)n1.
What is the InChIKey of (2S)-2-methyl-3-(3-methylpyrazol-1-yl)propan-1-amine?
The InChIKey is YQODDCBFIKJEFD-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15N3/c1-7(5-9)6-11-4-3-8(2)10-11/h3-4,7H,5-6,9H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-2-methyl-3-(3-methylpyrazol-1-yl)propan-1-amine?
(2S)-2-methyl-3-(3-methylpyrazol-1-yl)propan-1-amine has a molecular weight of 153.23 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3-(3-methylpyrazol-1-yl)propan-1-amine is sourced from PubChem (CID 42552280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).