(1R)-1-(1,4-dimethylpyrazol-5-yl)ethanamine

C7H13N3 — CID 96637320

IUPAC(1R)-1-(1,4-dimethylpyrazol-5-yl)ethanamine
SMILESCc1cnn(C)c1[C@@H](C)N
InChIInChI=1S/C7H13N3/c1-5-4-9-10(3)7(5)6(2)8/h4,6H,8H2,1-3H3/t6-/m1/s1
InChIKeyHIJMKEKVKOWTDP-ZCFIWIBFSA-N
MW139.20 g/mol
LogP0.75
Rot. Bonds1

About (1R)-1-(1,4-dimethylpyrazol-5-yl)ethanamine

(1R)-1-(1,4-dimethylpyrazol-5-yl)ethanamine (PubChem CID 96637320) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is (1R)-1-(1,4-dimethylpyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(1,4-dimethylpyrazol-5-yl)ethanamine
PubChem CID96637320
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name(1R)-1-(1,4-dimethylpyrazol-5-yl)ethanamine
SMILESCc1cnn(C)c1[C@@H](C)N
InChIInChI=1S/C7H13N3/c1-5-4-9-10(3)7(5)6(2)8/h4,6H,8H2,1-3H3/t6-/m1/s1
InChIKeyHIJMKEKVKOWTDP-ZCFIWIBFSA-N
XLogP0.75
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1,4-dimethylpyrazol-5-yl)ethanamine?
The IUPAC name of (1R)-1-(1,4-dimethylpyrazol-5-yl)ethanamine (CID 96637320) is (1R)-1-(1,4-dimethylpyrazol-5-yl)ethanamine.
What is the SMILES notation for (1R)-1-(1,4-dimethylpyrazol-5-yl)ethanamine?
The canonical SMILES for (1R)-1-(1,4-dimethylpyrazol-5-yl)ethanamine is Cc1cnn(C)c1[C@@H](C)N.
What is the InChIKey of (1R)-1-(1,4-dimethylpyrazol-5-yl)ethanamine?
The InChIKey is HIJMKEKVKOWTDP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13N3/c1-5-4-9-10(3)7(5)6(2)8/h4,6H,8H2,1-3H3/t6-/m1/s1.
What are the key properties of (1R)-1-(1,4-dimethylpyrazol-5-yl)ethanamine?
(1R)-1-(1,4-dimethylpyrazol-5-yl)ethanamine has a molecular weight of 139.20 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1,4-dimethylpyrazol-5-yl)ethanamine is sourced from PubChem (CID 96637320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).