N-[(2-methylpyrazol-3-yl)methyl]-3-propoxyaniline

C14H19N3O — CID 43693776

IUPACN-[(2-methylpyrazol-3-yl)methyl]-3-propoxyaniline
SMILESCCCOc1cccc(NCc2ccnn2C)c1
InChIInChI=1S/C14H19N3O/c1-3-9-18-14-6-4-5-12(10-14)15-11-13-7-8-16-17(13)2/h4-8,10,15H,3,9,11H2,1-2H3
InChIKeyOZDIXAPNVGBVHT-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.82
Rot. Bonds6

About N-[(2-methylpyrazol-3-yl)methyl]-3-propoxyaniline

N-[(2-methylpyrazol-3-yl)methyl]-3-propoxyaniline (PubChem CID 43693776) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]-3-propoxyaniline.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-3-propoxyaniline
PubChem CID43693776
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-3-propoxyaniline
SMILESCCCOc1cccc(NCc2ccnn2C)c1
InChIInChI=1S/C14H19N3O/c1-3-9-18-14-6-4-5-12(10-14)15-11-13-7-8-16-17(13)2/h4-8,10,15H,3,9,11H2,1-2H3
InChIKeyOZDIXAPNVGBVHT-UHFFFAOYSA-N
XLogP2.82
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-methylpyrazol-3-yl)methyl]-3-propoxyaniline 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-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethoxy)aniline
CID 115762009
2-(2-methylpyrazol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 104694287
N-(furan-3-ylmethyl)-3-propoxyaniline
CID 63204676
3-propoxy-N-[(4-propoxyphenyl)methyl]aniline
CID 54800585
N-[(5-ethylthiophen-2-yl)methyl]-3-propoxyaniline
CID 62345185
3-butoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54800692
N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline
CID 54800526
4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-propoxyaniline
CID 54864670
3-(difluoromethoxy)-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555165
2-N-ethyl-4-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine
CID 113367828
N-[(5-bromothiophen-2-yl)methyl]-3-propoxyaniline
CID 43693708
N-[(2-methylpyrazol-3-yl)methyl]-3-pyrrolidin-1-ylaniline
CID 54864487

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-3-propoxyaniline?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-3-propoxyaniline (CID 43693776) is N-[(2-methylpyrazol-3-yl)methyl]-3-propoxyaniline.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-3-propoxyaniline?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-3-propoxyaniline is CCCOc1cccc(NCc2ccnn2C)c1.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-3-propoxyaniline?
The InChIKey is OZDIXAPNVGBVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-9-18-14-6-4-5-12(10-14)15-11-13-7-8-16-17(13)2/h4-8,10,15H,3,9,11H2,1-2H3.
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-3-propoxyaniline?
N-[(2-methylpyrazol-3-yl)methyl]-3-propoxyaniline has a molecular weight of 245.33 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)methyl]-3-propoxyaniline is sourced from PubChem (CID 43693776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).