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

C14H19N3O2 — CID 19625831

IUPACN-[(3,5-dimethoxyphenyl)methyl]-1,5-dimethylpyrazol-4-amine
SMILESCOc1cc(CNc2cnn(C)c2C)cc(OC)c1
InChIInChI=1S/C14H19N3O2/c1-10-14(9-16-17(10)2)15-8-11-5-12(18-3)7-13(6-11)19-4/h5-7,9,15H,8H2,1-4H3
InChIKeyIAQKPINQXSJKFH-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.36
Rot. Bonds5

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

N-[(3,5-dimethoxyphenyl)methyl]-1,5-dimethylpyrazol-4-amine (PubChem CID 19625831) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-1,5-dimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-1,5-dimethylpyrazol-4-amine
PubChem CID19625831
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-1,5-dimethylpyrazol-4-amine
SMILESCOc1cc(CNc2cnn(C)c2C)cc(OC)c1
InChIInChI=1S/C14H19N3O2/c1-10-14(9-16-17(10)2)15-8-11-5-12(18-3)7-13(6-11)19-4/h5-7,9,15H,8H2,1-4H3
InChIKeyIAQKPINQXSJKFH-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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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-1,5-dimethylpyrazol-4-amine?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-1,5-dimethylpyrazol-4-amine (CID 19625831) is N-[(3,5-dimethoxyphenyl)methyl]-1,5-dimethylpyrazol-4-amine.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-1,5-dimethylpyrazol-4-amine?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-1,5-dimethylpyrazol-4-amine is COc1cc(CNc2cnn(C)c2C)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-1,5-dimethylpyrazol-4-amine?
The InChIKey is IAQKPINQXSJKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-14(9-16-17(10)2)15-8-11-5-12(18-3)7-13(6-11)19-4/h5-7,9,15H,8H2,1-4H3.
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-1,5-dimethylpyrazol-4-amine?
N-[(3,5-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-[(3,5-dimethoxyphenyl)methyl]-1,5-dimethylpyrazol-4-amine is sourced from PubChem (CID 19625831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).