[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]azanium

C7H14N3+ — CID 7019316

IUPAC[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]azanium
SMILESCc1nn(C)cc1[C@@H](C)[NH3+]
InChIInChI=1S/C7H13N3/c1-5(8)7-4-10(3)9-6(7)2/h4-5H,8H2,1-3H3/p+1/t5-/m1/s1
InChIKeyZHCIXQMRFVTGGF-RXMQYKEDSA-O
MW140.21 g/mol
LogP0.03
Rot. Bonds1

About [(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]azanium

[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]azanium (PubChem CID 7019316) has the molecular formula C7H14N3+ and a molecular weight of 140.21 g/mol. Its IUPAC name is [(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]azanium
PubChem CID7019316
Molecular FormulaC7H14N3+
Molecular Weight140.21 g/mol
Exact Mass140.12
IUPAC Name[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]azanium
SMILESCc1nn(C)cc1[C@@H](C)[NH3+]
InChIInChI=1S/C7H13N3/c1-5(8)7-4-10(3)9-6(7)2/h4-5H,8H2,1-3H3/p+1/t5-/m1/s1
InChIKeyZHCIXQMRFVTGGF-RXMQYKEDSA-O
XLogP0.03
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-bromopropan-2-yl)-1,3-dimethylpyrazole
CID 66470862
1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-ol
CID 83090041
3-(1,3-dimethylpyrazol-4-yl)butan-2-ol
CID 66436534
1-(1,3-dimethylpyrazol-4-yl)ethylhydrazine
CID 65196946
4-[1-(3,3-difluorocyclobutyl)ethyl]-1,3-dimethylpyrazole
CID 173077766
1-(1,3-dimethylpyrazol-4-yl)-N,2-dimethylbutan-1-amine
CID 102804208
1-(1,3-dimethylpyrazol-4-yl)-N-methoxyethanamine
CID 82706207
(1S)-1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoroethanol
CID 95567318
(1R)-2-amino-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83000950
1-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 83683542
1-(1,3-dimethylpyrazol-4-yl)-5-methylhexan-1-ol
CID 83157835
3-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-2-methylpropanenitrile
CID 83093884

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]azanium?
The IUPAC name of [(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]azanium (CID 7019316) is [(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]azanium.
What is the SMILES notation for [(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]azanium?
The canonical SMILES for [(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]azanium is Cc1nn(C)cc1[C@@H](C)[NH3+].
What is the InChIKey of [(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]azanium?
The InChIKey is ZHCIXQMRFVTGGF-RXMQYKEDSA-O. The full InChI is InChI=1S/C7H13N3/c1-5(8)7-4-10(3)9-6(7)2/h4-5H,8H2,1-3H3/p+1/t5-/m1/s1.
What are the key properties of [(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]azanium?
[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]azanium has a molecular weight of 140.21 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]azanium is sourced from PubChem (CID 7019316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).