4-[(2-methylphenoxy)methyl]-1-propan-2-ylpyrazol-5-amine

C14H19N3O — CID 117216713

IUPAC4-[(2-methylphenoxy)methyl]-1-propan-2-ylpyrazol-5-amine
SMILESCc1ccccc1OCc1cnn(C(C)C)c1N
InChIInChI=1S/C14H19N3O/c1-10(2)17-14(15)12(8-16-17)9-18-13-7-5-4-6-11(13)3/h4-8,10H,9,15H2,1-3H3
InChIKeyIEXTWLWLSVJLSS-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.93
Rot. Bonds4

About 4-[(2-methylphenoxy)methyl]-1-propan-2-ylpyrazol-5-amine

4-[(2-methylphenoxy)methyl]-1-propan-2-ylpyrazol-5-amine (PubChem CID 117216713) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-[(2-methylphenoxy)methyl]-1-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-[(2-methylphenoxy)methyl]-1-propan-2-ylpyrazol-5-amine
PubChem CID117216713
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-[(2-methylphenoxy)methyl]-1-propan-2-ylpyrazol-5-amine
SMILESCc1ccccc1OCc1cnn(C(C)C)c1N
InChIInChI=1S/C14H19N3O/c1-10(2)17-14(15)12(8-16-17)9-18-13-7-5-4-6-11(13)3/h4-8,10H,9,15H2,1-3H3
InChIKeyIEXTWLWLSVJLSS-UHFFFAOYSA-N
XLogP2.93
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methoxyphenoxy)methyl]-1-propan-2-ylpyrazol-5-amine
CID 117216723
1-propan-2-yl-4-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine
CID 117216709
3-[(2-methylphenoxy)methyl]-1-propan-2-ylpyrazol-5-amine
CID 117216038
2-[(2-methylphenoxy)methyl]aniline
CID 21191823
4-(aminomethyl)-1-propan-2-ylpyrazol-5-amine
CID 115069507
3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine
CID 117171842
3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine
CID 117178937
5-[(2-methylphenoxy)methyl]pyridin-2-amine
CID 62195123
1-methyl-2-[[2-(phenoxymethyl)phenyl]methoxy]benzene
CID 151703929
4-(ethylaminomethyl)-1-propan-2-ylpyrazol-5-amine
CID 117216764
1,4-dimethyl-2-[(2-methylphenoxy)methyl]benzene
CID 60627928
1-methyl-5-[(2-methylphenoxy)methyl]pyrazol-3-amine
CID 117217148

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylphenoxy)methyl]-1-propan-2-ylpyrazol-5-amine?
The IUPAC name of 4-[(2-methylphenoxy)methyl]-1-propan-2-ylpyrazol-5-amine (CID 117216713) is 4-[(2-methylphenoxy)methyl]-1-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for 4-[(2-methylphenoxy)methyl]-1-propan-2-ylpyrazol-5-amine?
The canonical SMILES for 4-[(2-methylphenoxy)methyl]-1-propan-2-ylpyrazol-5-amine is Cc1ccccc1OCc1cnn(C(C)C)c1N.
What is the InChIKey of 4-[(2-methylphenoxy)methyl]-1-propan-2-ylpyrazol-5-amine?
The InChIKey is IEXTWLWLSVJLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(2)17-14(15)12(8-16-17)9-18-13-7-5-4-6-11(13)3/h4-8,10H,9,15H2,1-3H3.
What are the key properties of 4-[(2-methylphenoxy)methyl]-1-propan-2-ylpyrazol-5-amine?
4-[(2-methylphenoxy)methyl]-1-propan-2-ylpyrazol-5-amine has a molecular weight of 245.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylphenoxy)methyl]-1-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 117216713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).