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

C14H19N3 — CID 114990815

IUPACN-[(4-ethylphenyl)-(1H-pyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1ccc(CC)cc1)c1cn[nH]c1
InChIInChI=1S/C14H19N3/c1-3-11-5-7-12(8-6-11)14(15-4-2)13-9-16-17-10-13/h5-10,14-15H,3-4H2,1-2H3,(H,16,17)
InChIKeyMFBOLRYZBXOMSY-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.67
Rot. Bonds5

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

N-[(4-ethylphenyl)-(1H-pyrazol-4-yl)methyl]ethanamine (PubChem CID 114990815) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-[(4-ethylphenyl)-(1H-pyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)-(1H-pyrazol-4-yl)methyl]ethanamine
PubChem CID114990815
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-[(4-ethylphenyl)-(1H-pyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1ccc(CC)cc1)c1cn[nH]c1
InChIInChI=1S/C14H19N3/c1-3-11-5-7-12(8-6-11)14(15-4-2)13-9-16-17-10-13/h5-10,14-15H,3-4H2,1-2H3,(H,16,17)
InChIKeyMFBOLRYZBXOMSY-UHFFFAOYSA-N
XLogP2.67
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[bis(4-ethylphenyl)methyl]ethanamine
CID 43491437
N-[(4-ethylphenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489197
N-[(4-ethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 55165244
N-[(3,4-dichlorophenyl)-(4-ethylphenyl)methyl]ethanamine
CID 43491461
N-[(3,5-dibromophenyl)-(4-ethylphenyl)methyl]ethanamine
CID 107974191
N-[(4-bromo-3,5-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine
CID 114330651
N-[(4-ethylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 43491470
N-[(4-ethylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
CID 104515338
N-[(4-ethylphenyl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 65104551
N-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine
CID 43489966
N-[(4-ethylphenyl)-pyridin-2-ylmethyl]ethanamine
CID 55084696
N-[(4-ethylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine
CID 55221471

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)-(1H-pyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(4-ethylphenyl)-(1H-pyrazol-4-yl)methyl]ethanamine (CID 114990815) is N-[(4-ethylphenyl)-(1H-pyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-ethylphenyl)-(1H-pyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-ethylphenyl)-(1H-pyrazol-4-yl)methyl]ethanamine is CCNC(c1ccc(CC)cc1)c1cn[nH]c1.
What is the InChIKey of N-[(4-ethylphenyl)-(1H-pyrazol-4-yl)methyl]ethanamine?
The InChIKey is MFBOLRYZBXOMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-11-5-7-12(8-6-11)14(15-4-2)13-9-16-17-10-13/h5-10,14-15H,3-4H2,1-2H3,(H,16,17).
What are the key properties of N-[(4-ethylphenyl)-(1H-pyrazol-4-yl)methyl]ethanamine?
N-[(4-ethylphenyl)-(1H-pyrazol-4-yl)methyl]ethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)-(1H-pyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 114990815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).