N-[(2,3-dimethoxyphenyl)methyl]-1,5-dimethylpyrazol-4-amine

C14H19N3O2 — CID 19625828

IUPACN-[(2,3-dimethoxyphenyl)methyl]-1,5-dimethylpyrazol-4-amine
SMILESCOc1cccc(CNc2cnn(C)c2C)c1OC
InChIInChI=1S/C14H19N3O2/c1-10-12(9-16-17(10)2)15-8-11-6-5-7-13(18-3)14(11)19-4/h5-7,9,15H,8H2,1-4H3
InChIKeyCGLCMFMHJZQQQZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.36
Rot. Bonds5

About N-[(2,3-dimethoxyphenyl)methyl]-1,5-dimethylpyrazol-4-amine

N-[(2,3-dimethoxyphenyl)methyl]-1,5-dimethylpyrazol-4-amine (PubChem CID 19625828) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-1,5-dimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-1,5-dimethylpyrazol-4-amine
PubChem CID19625828
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-1,5-dimethylpyrazol-4-amine
SMILESCOc1cccc(CNc2cnn(C)c2C)c1OC
InChIInChI=1S/C14H19N3O2/c1-10-12(9-16-17(10)2)15-8-11-6-5-7-13(18-3)14(11)19-4/h5-7,9,15H,8H2,1-4H3
InChIKeyCGLCMFMHJZQQQZ-UHFFFAOYSA-N
XLogP2.36
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 19623107
1-(2-fluoroethyl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazol-4-amine
CID 122168358
N-[(2,3-dimethoxyphenyl)methyl]-4-methoxypyridin-3-amine
CID 75430755
4-chloro-5-[(2-methoxyphenyl)methylamino]-2-methylpyridazin-3-one
CID 33286975
N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine
CID 11572077
N-[(2,3-dimethoxyphenyl)methyl]-4-methylaniline
CID 4143681
2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-methylaniline
CID 82761585
1-(2,3-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19625007
N-[(2,3-dimethoxyphenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine
CID 3643108
N-[(2,3-dimethoxyphenyl)methyl]-6-fluoropyridin-3-amine
CID 103825857
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methoxybenzamide
CID 79578897
N-[(3-ethoxy-2-methoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 43768834

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1,5-dimethylpyrazol-4-amine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1,5-dimethylpyrazol-4-amine (CID 19625828) is N-[(2,3-dimethoxyphenyl)methyl]-1,5-dimethylpyrazol-4-amine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-1,5-dimethylpyrazol-4-amine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-1,5-dimethylpyrazol-4-amine is COc1cccc(CNc2cnn(C)c2C)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-1,5-dimethylpyrazol-4-amine?
The InChIKey is CGLCMFMHJZQQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-12(9-16-17(10)2)15-8-11-6-5-7-13(18-3)14(11)19-4/h5-7,9,15H,8H2,1-4H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-1,5-dimethylpyrazol-4-amine?
N-[(2,3-dimethoxyphenyl)methyl]-1,5-dimethylpyrazol-4-amine has a molecular weight of 261.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-1,5-dimethylpyrazol-4-amine is sourced from PubChem (CID 19625828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).