N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine

C14H19N3 — CID 55066721

IUPACN-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCCc1ccccc1CNc1c(C)n[nH]c1C
InChIInChI=1S/C14H19N3/c1-4-12-7-5-6-8-13(12)9-15-14-10(2)16-17-11(14)3/h5-8,15H,4,9H2,1-3H3,(H,16,17)
InChIKeyZZMYWUIYVLYUSU-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.20
Rot. Bonds4

About N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine

N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine (PubChem CID 55066721) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
PubChem CID55066721
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCCc1ccccc1CNc1c(C)n[nH]c1C
InChIInChI=1S/C14H19N3/c1-4-12-7-5-6-8-13(12)9-15-14-10(2)16-17-11(14)3/h5-8,15H,4,9H2,1-3H3,(H,16,17)
InChIKeyZZMYWUIYVLYUSU-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547239
N-[(2-bromophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547216
N-[(2-ethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547421
3,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-amine
CID 43547425
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-ethylphenyl)methanamine
CID 64681351
2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-4-methylphenol
CID 63326681
2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-6-ethoxyphenol
CID 43547329
N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 64696182
N-[(4-chloro-2-methylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 114075363
3,5-dimethyl-N-propyl-1H-pyrazol-4-amine
CID 43547244
3,5-dimethyl-N-(quinoxalin-2-ylmethyl)-1H-pyrazol-4-amine
CID 43777194
N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547419

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The IUPAC name of N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine (CID 55066721) is N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine is CCc1ccccc1CNc1c(C)n[nH]c1C.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The InChIKey is ZZMYWUIYVLYUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-4-12-7-5-6-8-13(12)9-15-14-10(2)16-17-11(14)3/h5-8,15H,4,9H2,1-3H3,(H,16,17).
What are the key properties of N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine?
N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine has a molecular weight of 229.33 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine is sourced from PubChem (CID 55066721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).