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

C14H19N3O — CID 43547421

IUPACN-[(2-ethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCCOc1ccccc1CNc1c(C)n[nH]c1C
InChIInChI=1S/C14H19N3O/c1-4-18-13-8-6-5-7-12(13)9-15-14-10(2)16-17-11(14)3/h5-8,15H,4,9H2,1-3H3,(H,16,17)
InChIKeyLBCTYWFVRQROMK-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.04
Rot. Bonds5

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

N-[(2-ethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine (PubChem CID 43547421) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
PubChem CID43547421
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[(2-ethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCCOc1ccccc1CNc1c(C)n[nH]c1C
InChIInChI=1S/C14H19N3O/c1-4-18-13-8-6-5-7-12(13)9-15-14-10(2)16-17-11(14)3/h5-8,15H,4,9H2,1-3H3,(H,16,17)
InChIKeyLBCTYWFVRQROMK-UHFFFAOYSA-N
XLogP3.04
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-6-ethoxyphenol
CID 43547329
N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 55066721
N-[(2-bromophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547216
3,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-amine
CID 43547425
N-[(2-ethoxyphenyl)methyl]-2,6-difluoroaniline
CID 28879073
N-[(2-ethoxyphenyl)methyl]-3,6-dimethylpyrazin-2-amine
CID 133468436
2-ethoxy-N-[(2-ethoxyphenyl)methyl]-4-methylaniline
CID 60935397
2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-4-methylphenol
CID 63326681
2-bromo-N-[(2-ethoxyphenyl)methyl]-6-fluoroaniline
CID 107598496
N-[(2-ethoxyphenyl)methyl]-2-iodoaniline
CID 28878592
4-chloro-N-[(2-ethoxyphenyl)methyl]aniline
CID 900682
N-[(2-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 29274401

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine (CID 43547421) is N-[(2-ethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine is CCOc1ccccc1CNc1c(C)n[nH]c1C.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The InChIKey is LBCTYWFVRQROMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-18-13-8-6-5-7-12(13)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-ethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine?
N-[(2-ethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine has a molecular weight of 245.33 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine is sourced from PubChem (CID 43547421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).