1-[4-(2-methylpropyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine

C16H23N3 — CID 54897141

IUPAC1-[4-(2-methylpropyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine
SMILESCC(C)Cc1ccc(C(C)NCc2cn[nH]c2)cc1
InChIInChI=1S/C16H23N3/c1-12(2)8-14-4-6-16(7-5-14)13(3)17-9-15-10-18-19-11-15/h4-7,10-13,17H,8-9H2,1-3H3,(H,18,19)
InChIKeyPAESDKABFJOIJC-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.46
Rot. Bonds6

About 1-[4-(2-methylpropyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine

1-[4-(2-methylpropyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine (PubChem CID 54897141) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine
PubChem CID54897141
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-[4-(2-methylpropyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine
SMILESCC(C)Cc1ccc(C(C)NCc2cn[nH]c2)cc1
InChIInChI=1S/C16H23N3/c1-12(2)8-14-4-6-16(7-5-14)13(3)17-9-15-10-18-19-11-15/h4-7,10-13,17H,8-9H2,1-3H3,(H,18,19)
InChIKeyPAESDKABFJOIJC-UHFFFAOYSA-N
XLogP3.46
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 61000601
1-(3,5-dimethylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 78950438
4-[1-(1H-pyrazol-4-ylmethylamino)ethyl]benzonitrile
CID 54897525
1-(4-propoxyphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 54897283
1-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)propan-2-amine
CID 115600103
N-(1H-pyrazol-4-ylmethyl)propan-2-amine
CID 61000273
1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 60999677
1-(2,6-dichloro-3-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 54897527
2-methyl-1-[1-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-ol
CID 63239146
2-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-en-1-amine
CID 113464994
1-(4-methyl-1,3-thiazol-5-yl)-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 61000169
N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 65230680

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine?
The IUPAC name of 1-[4-(2-methylpropyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine (CID 54897141) is 1-[4-(2-methylpropyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-[4-(2-methylpropyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine?
The canonical SMILES for 1-[4-(2-methylpropyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine is CC(C)Cc1ccc(C(C)NCc2cn[nH]c2)cc1.
What is the InChIKey of 1-[4-(2-methylpropyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine?
The InChIKey is PAESDKABFJOIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12(2)8-14-4-6-16(7-5-14)13(3)17-9-15-10-18-19-11-15/h4-7,10-13,17H,8-9H2,1-3H3,(H,18,19).
What are the key properties of 1-[4-(2-methylpropyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine?
1-[4-(2-methylpropyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine has a molecular weight of 257.38 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 54897141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).