N-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrazol-4-amine

C14H19N3O2 — CID 19625859

IUPACN-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrazol-4-amine
SMILESCCn1cc(NCc2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C14H19N3O2/c1-4-17-10-12(9-16-17)15-8-11-5-6-13(18-2)14(7-11)19-3/h5-7,9-10,15H,4,8H2,1-3H3
InChIKeyLKPMHRUBXIHDRG-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.53
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrazol-4-amine

N-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrazol-4-amine (PubChem CID 19625859) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrazol-4-amine
PubChem CID19625859
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrazol-4-amine
SMILESCCn1cc(NCc2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C14H19N3O2/c1-4-17-10-12(9-16-17)15-8-11-5-6-13(18-2)14(7-11)19-3/h5-7,9-10,15H,4,8H2,1-3H3
InChIKeyLKPMHRUBXIHDRG-UHFFFAOYSA-N
XLogP2.53
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-amine
CID 54939751
1-ethyl-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazol-4-amine
CID 19625865
4-[[(1-ethylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol
CID 19625872
N-[(3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 62904039
2-[4-[(4-methoxy-3-propoxyphenyl)methylamino]pyrazol-1-yl]ethanol
CID 110928951
1-benzyl-N-[(4-ethoxy-3-methoxyphenyl)methyl]pyrazol-4-amine
CID 113224396
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-ethylpyrazol-4-amine
CID 43776973
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 62902826
1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazol-4-amine
CID 19625854
4-[[(1-ethylpyrazol-4-yl)amino]methyl]phenol
CID 19627559
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 65021511
N-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-4-amine;hydrochloride
CID 126966280

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrazol-4-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrazol-4-amine (CID 19625859) is N-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrazol-4-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrazol-4-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrazol-4-amine is CCn1cc(NCc2ccc(OC)c(OC)c2)cn1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrazol-4-amine?
The InChIKey is LKPMHRUBXIHDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-17-10-12(9-16-17)15-8-11-5-6-13(18-2)14(7-11)19-3/h5-7,9-10,15H,4,8H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrazol-4-amine?
N-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrazol-4-amine has a molecular weight of 261.32 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrazol-4-amine is sourced from PubChem (CID 19625859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).