N-[(3,4-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine

C15H21N3O — CID 43787752

IUPACN-[(3,4-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
SMILESCOCCn1cc(NCc2ccc(C)c(C)c2)cn1
InChIInChI=1S/C15H21N3O/c1-12-4-5-14(8-13(12)2)9-16-15-10-17-18(11-15)6-7-19-3/h4-5,8,10-11,16H,6-7,9H2,1-3H3
InChIKeyPHBREMBMWXZFBF-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.76
Rot. Bonds6

About N-[(3,4-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine

N-[(3,4-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine (PubChem CID 43787752) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
PubChem CID43787752
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[(3,4-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
SMILESCOCCn1cc(NCc2ccc(C)c(C)c2)cn1
InChIInChI=1S/C15H21N3O/c1-12-4-5-14(8-13(12)2)9-16-15-10-17-18(11-15)6-7-19-3/h4-5,8,10-11,16H,6-7,9H2,1-3H3
InChIKeyPHBREMBMWXZFBF-UHFFFAOYSA-N
XLogP2.76
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chloro-4-methoxyphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 65021511
1-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]pyrazol-4-amine
CID 43728942
1-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 43728903
N-ethyl-1-(2-methoxyethyl)pyrazol-4-amine
CID 43729152
1-(2-methoxyethyl)-N-[(5-methyl-2-pyridinyl)methyl]pyrazol-4-amine
CID 81312279
N-[(4-methoxy-3-methylphenyl)methyl]-1-methylpyrazol-4-amine
CID 43776698
2-[4-[(4-chloro-3-methylphenyl)methylamino]pyrazol-1-yl]ethanol
CID 110019149
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43729032
4-fluoro-2-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]phenol
CID 103947895
1-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrazol-4-amine
CID 43728977
N-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrazol-4-amine
CID 19625859
2-[4-[(4-methoxy-3-propoxyphenyl)methylamino]pyrazol-1-yl]ethanol
CID 110928951

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine (CID 43787752) is N-[(3,4-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine is COCCn1cc(NCc2ccc(C)c(C)c2)cn1.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The InChIKey is PHBREMBMWXZFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12-4-5-14(8-13(12)2)9-16-15-10-17-18(11-15)6-7-19-3/h4-5,8,10-11,16H,6-7,9H2,1-3H3.
What are the key properties of N-[(3,4-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine?
N-[(3,4-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine has a molecular weight of 259.35 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine is sourced from PubChem (CID 43787752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).