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

C13H17N3 — CID 82239726

IUPACN-[(4-methylphenyl)-(1H-pyrazol-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1)c1ccn[nH]1
InChIInChI=1S/C13H17N3/c1-3-14-13(12-8-9-15-16-12)11-6-4-10(2)5-7-11/h4-9,13-14H,3H2,1-2H3,(H,15,16)
InChIKeyQBQNYHSNNDDRIB-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.42
Rot. Bonds4

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

N-[(4-methylphenyl)-(1H-pyrazol-5-yl)methyl]ethanamine (PubChem CID 82239726) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-[(4-methylphenyl)-(1H-pyrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methylphenyl)-(1H-pyrazol-5-yl)methyl]ethanamine
PubChem CID82239726
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-[(4-methylphenyl)-(1H-pyrazol-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1)c1ccn[nH]1
InChIInChI=1S/C13H17N3/c1-3-14-13(12-8-9-15-16-12)11-6-4-10(2)5-7-11/h4-9,13-14H,3H2,1-2H3,(H,15,16)
InChIKeyQBQNYHSNNDDRIB-UHFFFAOYSA-N
XLogP2.42
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-methylphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81349237
N-[(4-methylphenyl)-phenylmethyl]ethanamine
CID 43389847
N-[(4-methylphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine
CID 63840250
N-[(3,4-dimethylphenyl)-(4-methylphenyl)methyl]ethanamine
CID 43488020
1-(4-tert-butylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine
CID 114994095
N-[(4-ethylphenyl)-(1H-pyrazol-4-yl)methyl]ethanamine
CID 114990815
N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]ethanamine
CID 82884123
N-[(2,5-dimethylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 43488838
N-[(4-methylphenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43492161
N-[(6-methoxypyridazin-3-yl)-(4-methylphenyl)methyl]ethanamine
CID 103374615
N-[(4-chloro-2,5-difluorophenyl)-(4-methylphenyl)methyl]ethanamine
CID 82782197
N-[(5-ethylfuran-2-yl)-(4-methylphenyl)methyl]ethanamine
CID 55061507

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)-(1H-pyrazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(4-methylphenyl)-(1H-pyrazol-5-yl)methyl]ethanamine (CID 82239726) is N-[(4-methylphenyl)-(1H-pyrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methylphenyl)-(1H-pyrazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-methylphenyl)-(1H-pyrazol-5-yl)methyl]ethanamine is CCNC(c1ccc(C)cc1)c1ccn[nH]1.
What is the InChIKey of N-[(4-methylphenyl)-(1H-pyrazol-5-yl)methyl]ethanamine?
The InChIKey is QBQNYHSNNDDRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-3-14-13(12-8-9-15-16-12)11-6-4-10(2)5-7-11/h4-9,13-14H,3H2,1-2H3,(H,15,16).
What are the key properties of N-[(4-methylphenyl)-(1H-pyrazol-5-yl)methyl]ethanamine?
N-[(4-methylphenyl)-(1H-pyrazol-5-yl)methyl]ethanamine has a molecular weight of 215.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)-(1H-pyrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 82239726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).