(2S)-2-(4-methylpyrazol-1-yl)propan-1-amine

C7H13N3 — CID 42576130

IUPAC(2S)-2-(4-methylpyrazol-1-yl)propan-1-amine
SMILESCc1cnn([C@@H](C)CN)c1
InChIInChI=1S/C7H13N3/c1-6-4-9-10(5-6)7(2)3-8/h4-5,7H,3,8H2,1-2H3/t7-/m0/s1
InChIKeyXESDWQGZKSJTMM-ZETCQYMHSA-N
MW139.20 g/mol
LogP0.71
Rot. Bonds2

About (2S)-2-(4-methylpyrazol-1-yl)propan-1-amine

(2S)-2-(4-methylpyrazol-1-yl)propan-1-amine (PubChem CID 42576130) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is (2S)-2-(4-methylpyrazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name(2S)-2-(4-methylpyrazol-1-yl)propan-1-amine
PubChem CID42576130
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name(2S)-2-(4-methylpyrazol-1-yl)propan-1-amine
SMILESCc1cnn([C@@H](C)CN)c1
InChIInChI=1S/C7H13N3/c1-6-4-9-10(5-6)7(2)3-8/h4-5,7H,3,8H2,1-2H3/t7-/m0/s1
InChIKeyXESDWQGZKSJTMM-ZETCQYMHSA-N
XLogP0.71
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(4-methylpyrazol-1-yl)butanenitrile
CID 42573807
1-(4-methylpyrazol-1-yl)ethanamine
CID 155393136
(3S)-3-(4-methylpyrazol-1-yl)butanoic acid
CID 93345108
N-methyl-3-(4-methylpyrazol-1-yl)butan-1-amine
CID 62449280
3,3,3-trifluoro-2-(4-methylpyrazol-1-yl)propan-1-amine
CID 60872716
4-(4-methylpyrazol-1-yl)pentanoic acid
CID 62213453
(2S,3R)-3-(4-methylpyrazol-1-yl)butane-2-sulfonamide
CID 122702024
4-methyl-1-[5-(4-methylimidazol-1-yl)hexan-2-yl]pyrazole
CID 130346443
ethyl (2R)-2-(4-methylpyrazol-1-yl)propanoate
CID 7017156
N,3-dimethyl-2-(4-methylpyrazol-1-yl)butan-1-amine
CID 62449306
2-(4-methylpyrazol-1-yl)pentan-3-one
CID 64867990
(2R)-2-(4-chloro-3-methylpyrazol-1-yl)propan-1-amine
CID 42576127

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methylpyrazol-1-yl)propan-1-amine?
The IUPAC name of (2S)-2-(4-methylpyrazol-1-yl)propan-1-amine (CID 42576130) is (2S)-2-(4-methylpyrazol-1-yl)propan-1-amine.
What is the SMILES notation for (2S)-2-(4-methylpyrazol-1-yl)propan-1-amine?
The canonical SMILES for (2S)-2-(4-methylpyrazol-1-yl)propan-1-amine is Cc1cnn([C@@H](C)CN)c1.
What is the InChIKey of (2S)-2-(4-methylpyrazol-1-yl)propan-1-amine?
The InChIKey is XESDWQGZKSJTMM-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H13N3/c1-6-4-9-10(5-6)7(2)3-8/h4-5,7H,3,8H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-2-(4-methylpyrazol-1-yl)propan-1-amine?
(2S)-2-(4-methylpyrazol-1-yl)propan-1-amine has a molecular weight of 139.20 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methylpyrazol-1-yl)propan-1-amine is sourced from PubChem (CID 42576130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).