(2S)-2-(4-chloro-5-methylpyrazol-1-yl)propan-1-amine

C7H12ClN3 — CID 42576142

IUPAC(2S)-2-(4-chloro-5-methylpyrazol-1-yl)propan-1-amine
SMILESCc1c(Cl)cnn1[C@@H](C)CN
InChIInChI=1S/C7H12ClN3/c1-5(3-9)11-6(2)7(8)4-10-11/h4-5H,3,9H2,1-2H3/t5-/m0/s1
InChIKeyOERVIJMLXJEOKX-YFKPBYRVSA-N
MW173.65 g/mol
LogP1.36
Rot. Bonds2

About (2S)-2-(4-chloro-5-methylpyrazol-1-yl)propan-1-amine

(2S)-2-(4-chloro-5-methylpyrazol-1-yl)propan-1-amine (PubChem CID 42576142) has the molecular formula C7H12ClN3 and a molecular weight of 173.65 g/mol. Its IUPAC name is (2S)-2-(4-chloro-5-methylpyrazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name(2S)-2-(4-chloro-5-methylpyrazol-1-yl)propan-1-amine
PubChem CID42576142
Molecular FormulaC7H12ClN3
Molecular Weight173.65 g/mol
Exact Mass173.07
IUPAC Name(2S)-2-(4-chloro-5-methylpyrazol-1-yl)propan-1-amine
SMILESCc1c(Cl)cnn1[C@@H](C)CN
InChIInChI=1S/C7H12ClN3/c1-5(3-9)11-6(2)7(8)4-10-11/h4-5H,3,9H2,1-2H3/t5-/m0/s1
InChIKeyOERVIJMLXJEOKX-YFKPBYRVSA-N
XLogP1.36
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.65
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-5-methylpyrazol-1-yl)propanamide
CID 25248320
(2S)-2-(4-chloro-5-methylpyrazol-1-yl)propanoic acid
CID 7026044
(2R)-2-(4-chloro-3-methylpyrazol-1-yl)propan-1-amine
CID 42576127
2-(4-chloro-1-methylpyrazol-5-yl)propan-1-amine
CID 83827347
2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,2-difluoroethanamine
CID 115034214
2-(5-chloro-1-propan-2-ylpyrazol-4-yl)propan-1-amine
CID 84776613
2-(4-chloro-5-methylpyrazol-1-yl)-N-octadecylpropanamide
CID 19533617
(2S)-2-(4-methylpyrazol-1-yl)propan-1-amine
CID 42576130
2-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 62129229
(4-chloro-1-propan-2-ylpyrazol-5-yl)methylhydrazine
CID 105220837
4-chloro-5-ethyl-1-propan-2-ylpyrazole;ethane
CID 177038898
3-(4-chloro-5-methylpyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 165490319

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloro-5-methylpyrazol-1-yl)propan-1-amine?
The IUPAC name of (2S)-2-(4-chloro-5-methylpyrazol-1-yl)propan-1-amine (CID 42576142) is (2S)-2-(4-chloro-5-methylpyrazol-1-yl)propan-1-amine.
What is the SMILES notation for (2S)-2-(4-chloro-5-methylpyrazol-1-yl)propan-1-amine?
The canonical SMILES for (2S)-2-(4-chloro-5-methylpyrazol-1-yl)propan-1-amine is Cc1c(Cl)cnn1[C@@H](C)CN.
What is the InChIKey of (2S)-2-(4-chloro-5-methylpyrazol-1-yl)propan-1-amine?
The InChIKey is OERVIJMLXJEOKX-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H12ClN3/c1-5(3-9)11-6(2)7(8)4-10-11/h4-5H,3,9H2,1-2H3/t5-/m0/s1.
What are the key properties of (2S)-2-(4-chloro-5-methylpyrazol-1-yl)propan-1-amine?
(2S)-2-(4-chloro-5-methylpyrazol-1-yl)propan-1-amine has a molecular weight of 173.65 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chloro-5-methylpyrazol-1-yl)propan-1-amine is sourced from PubChem (CID 42576142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).