(1R)-1-(4-methylphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine

C14H19N3 — CID 81349237

IUPAC(1R)-1-(4-methylphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
SMILESCc1ccc([C@@H](C)NC(C)c2ccn[nH]2)cc1
InChIInChI=1S/C14H19N3/c1-10-4-6-13(7-5-10)11(2)16-12(3)14-8-9-15-17-14/h4-9,11-12,16H,1-3H3,(H,15,17)/t11-,12?/m1/s1
InChIKeyIKHFMIZDQORFMG-JHJMLUEUSA-N
MW229.33 g/mol
LogP3.13
Rot. Bonds4

About (1R)-1-(4-methylphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine

(1R)-1-(4-methylphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine (PubChem CID 81349237) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is (1R)-1-(4-methylphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-methylphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
PubChem CID81349237
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name(1R)-1-(4-methylphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
SMILESCc1ccc([C@@H](C)NC(C)c2ccn[nH]2)cc1
InChIInChI=1S/C14H19N3/c1-10-4-6-13(7-5-10)11(2)16-12(3)14-8-9-15-17-14/h4-9,11-12,16H,1-3H3,(H,15,17)/t11-,12?/m1/s1
InChIKeyIKHFMIZDQORFMG-JHJMLUEUSA-N
XLogP3.13
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-bromophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81355261
1-(4-methoxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 66242814
1-(4-propan-2-yloxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 60972184
(1R)-1-(3-bromophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81371761
(1S)-1-(3-chlorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81366906
1-(3-fluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 54881269
1-(3-bromo-4-methoxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 54881812
1-(1H-pyrazol-5-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 106281607
1-(4-methylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 114167978
(1S)-1-cycloheptyl-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81388692
N-[(4-methylphenyl)-(1H-pyrazol-5-yl)methyl]ethanamine
CID 82239726
(1R)-1-cycloheptyl-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81390762

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methylphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine?
The IUPAC name of (1R)-1-(4-methylphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine (CID 81349237) is (1R)-1-(4-methylphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-methylphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine?
The canonical SMILES for (1R)-1-(4-methylphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine is Cc1ccc([C@@H](C)NC(C)c2ccn[nH]2)cc1.
What is the InChIKey of (1R)-1-(4-methylphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine?
The InChIKey is IKHFMIZDQORFMG-JHJMLUEUSA-N. The full InChI is InChI=1S/C14H19N3/c1-10-4-6-13(7-5-10)11(2)16-12(3)14-8-9-15-17-14/h4-9,11-12,16H,1-3H3,(H,15,17)/t11-,12?/m1/s1.
What are the key properties of (1R)-1-(4-methylphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine?
(1R)-1-(4-methylphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine has a molecular weight of 229.33 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methylphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 81349237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).