1-(4-methylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine

C13H17N3 — CID 61000601

IUPAC1-(4-methylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine
SMILESCc1ccc(C(C)NCc2cn[nH]c2)cc1
InChIInChI=1S/C13H17N3/c1-10-3-5-13(6-4-10)11(2)14-7-12-8-15-16-9-12/h3-6,8-9,11,14H,7H2,1-2H3,(H,15,16)
InChIKeyXGTVSHXEZDNPJT-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.57
Rot. Bonds4

About 1-(4-methylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine

1-(4-methylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine (PubChem CID 61000601) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine
PubChem CID61000601
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1-(4-methylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine
SMILESCc1ccc(C(C)NCc2cn[nH]c2)cc1
InChIInChI=1S/C13H17N3/c1-10-3-5-13(6-4-10)11(2)14-7-12-8-15-16-9-12/h3-6,8-9,11,14H,7H2,1-2H3,(H,15,16)
InChIKeyXGTVSHXEZDNPJT-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 78950438
1-[4-(2-methylpropyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 54897141
4-[1-(1H-pyrazol-4-ylmethylamino)ethyl]benzonitrile
CID 54897525
1-(4-propoxyphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 54897283
N-(1H-pyrazol-4-ylmethyl)propan-2-amine
CID 61000273
(1S)-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28669648
1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 60999677
(1R)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 28670989
1-(4-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 54893050
(1R)-N-[(4-ethylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81350057
(1R)-1-(4-methylphenyl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437947
1-(2,6-dichloro-3-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 54897527

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine?
The IUPAC name of 1-(4-methylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine (CID 61000601) is 1-(4-methylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-methylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-methylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine is Cc1ccc(C(C)NCc2cn[nH]c2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine?
The InChIKey is XGTVSHXEZDNPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-3-5-13(6-4-10)11(2)14-7-12-8-15-16-9-12/h3-6,8-9,11,14H,7H2,1-2H3,(H,15,16).
What are the key properties of 1-(4-methylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine?
1-(4-methylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine has a molecular weight of 215.30 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 61000601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).