3-(1-cyclopropylethyl)-4-(2-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine

C17H23N3O — CID 83149949

IUPAC3-(1-cyclopropylethyl)-4-(2-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1ccc(C)cc1-c1c(C(C)C2CC2)nn(C)c1N
InChIInChI=1S/C17H23N3O/c1-10-5-8-14(21-4)13(9-10)15-16(11(2)12-6-7-12)19-20(3)17(15)18/h5,8-9,11-12H,6-7,18H2,1-4H3
InChIKeyYNIZJYWQQXTZBW-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.50
Rot. Bonds4

About 3-(1-cyclopropylethyl)-4-(2-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine

3-(1-cyclopropylethyl)-4-(2-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine (PubChem CID 83149949) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-(1-cyclopropylethyl)-4-(2-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(1-cyclopropylethyl)-4-(2-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine
PubChem CID83149949
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-(1-cyclopropylethyl)-4-(2-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1ccc(C)cc1-c1c(C(C)C2CC2)nn(C)c1N
InChIInChI=1S/C17H23N3O/c1-10-5-8-14(21-4)13(9-10)15-16(11(2)12-6-7-12)19-20(3)17(15)18/h5,8-9,11-12H,6-7,18H2,1-4H3
InChIKeyYNIZJYWQQXTZBW-UHFFFAOYSA-N
XLogP3.50
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-cyclopropylethyl)-1-methyl-4-phenylpyrazol-5-amine
CID 83154819
4-(3-chlorophenyl)-3-(1-cyclopropylethyl)-1-methylpyrazol-5-amine
CID 83154614
4-(2,4-dimethylphenyl)-1-methyl-3-propan-2-ylpyrazol-5-amine
CID 83544738
3-(2-methoxy-5-methylphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
CID 62504567
2-cyclopropyl-1-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83155175
4-(2-methoxy-5-methylphenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine
CID 43335915
N-cyclopropyl-5-(2-methoxy-5-methylphenyl)-1-methylpyrazol-3-amine
CID 116827533
6-(2-methoxy-5-methylphenyl)-2-methyl-3-oxopyridazine-4-carbothioamide
CID 82444531
5-cyclopentyl-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine
CID 66200945
3-[5-(1-fluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine
CID 117376001
4-(2-methoxy-5-methylphenyl)-5-(oxan-4-yl)-1,2-oxazol-3-amine
CID 66200344
6-(2-methoxy-5-methylphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide
CID 82444532

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylethyl)-4-(2-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(1-cyclopropylethyl)-4-(2-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine (CID 83149949) is 3-(1-cyclopropylethyl)-4-(2-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(1-cyclopropylethyl)-4-(2-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(1-cyclopropylethyl)-4-(2-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine is COc1ccc(C)cc1-c1c(C(C)C2CC2)nn(C)c1N.
What is the InChIKey of 3-(1-cyclopropylethyl)-4-(2-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is YNIZJYWQQXTZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-10-5-8-14(21-4)13(9-10)15-16(11(2)12-6-7-12)19-20(3)17(15)18/h5,8-9,11-12H,6-7,18H2,1-4H3.
What are the key properties of 3-(1-cyclopropylethyl)-4-(2-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine?
3-(1-cyclopropylethyl)-4-(2-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 285.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylethyl)-4-(2-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 83149949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).