(1R)-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine

C12H15N3 — CID 78937565

IUPAC(1R)-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine
SMILESCc1cnn(-c2ccc([C@@H](C)N)cc2)c1
InChIInChI=1S/C12H15N3/c1-9-7-14-15(8-9)12-5-3-11(4-6-12)10(2)13/h3-8,10H,13H2,1-2H3/t10-/m1/s1
InChIKeyAUIIKXUURJEJOH-SNVBAGLBSA-N
MW201.27 g/mol
LogP2.20
Rot. Bonds2

About (1R)-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine

(1R)-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine (PubChem CID 78937565) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (1R)-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine
PubChem CID78937565
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name(1R)-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine
SMILESCc1cnn(-c2ccc([C@@H](C)N)cc2)c1
InChIInChI=1S/C12H15N3/c1-9-7-14-15(8-9)12-5-3-11(4-6-12)10(2)13/h3-8,10H,13H2,1-2H3/t10-/m1/s1
InChIKeyAUIIKXUURJEJOH-SNVBAGLBSA-N
XLogP2.20
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[4-(4-chloropyrazol-1-yl)phenyl]ethanamine
CID 78937576
1-[5-(4-methylpyrazol-1-yl)-2-pyridinyl]ethanamine
CID 83127743
(1S)-1-[4-(4-phenylpyrazol-1-yl)phenyl]ethanamine
CID 63370517
(1R)-1-[3-chloro-4-(4-methylpyrazol-1-yl)phenyl]ethanamine
CID 63369287
2-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine
CID 63815889
N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-(4-methylpyrazol-1-yl)benzamide
CID 55962959
(1S)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethanamine
CID 63369256
1-(3,4-dimethylphenyl)-4-methylpyrazole
CID 148851288
1-[1-(4-methylphenyl)pyrazol-4-yl]oxyethanamine
CID 117230498
1-[3-(4-methylpyrazol-1-yl)phenyl]ethanol
CID 117290920
[4-(4-methylpyrazol-1-yl)phenyl]thiourea
CID 169358177
2-amino-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanone
CID 82393844

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine (CID 78937565) is (1R)-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine is Cc1cnn(-c2ccc([C@@H](C)N)cc2)c1.
What is the InChIKey of (1R)-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine?
The InChIKey is AUIIKXUURJEJOH-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15N3/c1-9-7-14-15(8-9)12-5-3-11(4-6-12)10(2)13/h3-8,10H,13H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine?
(1R)-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine has a molecular weight of 201.27 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 78937565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).