N-[(3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine

C15H21N3O2 — CID 62904039

IUPACN-[(3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine
SMILESCOc1ccc(CNc2cnn(C(C)C)c2)cc1OC
InChIInChI=1S/C15H21N3O2/c1-11(2)18-10-13(9-17-18)16-8-12-5-6-14(19-3)15(7-12)20-4/h5-7,9-11,16H,8H2,1-4H3
InChIKeyBMTACXHYECNAQP-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.09
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine

N-[(3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine (PubChem CID 62904039) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine
PubChem CID62904039
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine
SMILESCOc1ccc(CNc2cnn(C(C)C)c2)cc1OC
InChIInChI=1S/C15H21N3O2/c1-11(2)18-10-13(9-17-18)16-8-12-5-6-14(19-3)15(7-12)20-4/h5-7,9-11,16H,8H2,1-4H3
InChIKeyBMTACXHYECNAQP-UHFFFAOYSA-N
XLogP3.09
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 62902826
N-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrazol-4-amine
CID 19625859
N-[(3,4-dibromophenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 115881219
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 115607997
N-[(3-chloro-4-fluorophenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 81145371
1-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]pyrazol-4-amine
CID 62904044
N-[(4-methoxy-3-methylphenyl)methyl]-1-methylpyrazol-4-amine
CID 43776698
1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-4-amine
CID 62902813
N-[(4-bromo-3-nitrophenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 62903195
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 63271073
1-ethyl-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazol-4-amine
CID 19625865
1-benzyl-N-[(4-ethoxy-3-methoxyphenyl)methyl]pyrazol-4-amine
CID 113224396

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine (CID 62904039) is N-[(3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine is COc1ccc(CNc2cnn(C(C)C)c2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine?
The InChIKey is BMTACXHYECNAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11(2)18-10-13(9-17-18)16-8-12-5-6-14(19-3)15(7-12)20-4/h5-7,9-11,16H,8H2,1-4H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine?
N-[(3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine has a molecular weight of 275.35 g/mol, XLogP of 3.09, 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-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 62904039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).