[1-(2-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine

C14H19N3O — CID 66440981

IUPAC[1-(2-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
SMILESCOc1ccccc1-n1ncc(CN)c1C(C)C
InChIInChI=1S/C14H19N3O/c1-10(2)14-11(8-15)9-16-17(14)12-6-4-5-7-13(12)18-3/h4-7,9-10H,8,15H2,1-3H3
InChIKeyXMLMQPYQCWEGLW-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.46
Rot. Bonds4

About [1-(2-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine

[1-(2-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine (PubChem CID 66440981) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is [1-(2-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
PubChem CID66440981
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name[1-(2-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
SMILESCOc1ccccc1-n1ncc(CN)c1C(C)C
InChIInChI=1S/C14H19N3O/c1-10(2)14-11(8-15)9-16-17(14)12-6-4-5-7-13(12)18-3/h4-7,9-10H,8,15H2,1-3H3
InChIKeyXMLMQPYQCWEGLW-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(chloromethyl)-1-(2-methoxyphenyl)-5-propan-2-ylpyrazole
CID 66438831
[1-(2-ethylphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 82293937
[1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 66441076
[1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine
CID 66440778
[1-(3-chloro-4-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 95483572
[2-(2-methoxyphenyl)pyrazol-3-yl]methanamine
CID 83881539
[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 66440251
[1-(2-ethoxyphenyl)-5-methylpyrazol-4-yl]methanamine
CID 82527967
N-[[1-(2-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine
CID 66440776
4-(chloromethyl)-1-(2-chlorophenyl)-5-propan-2-ylpyrazole
CID 66436399
4-[(dipropylamino)methyl]-1-(2-methoxyphenyl)pyrazol-5-amine
CID 82171697
[1-(2-bromophenyl)-5-methoxypyrazol-4-yl]methanamine
CID 115006431

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine?
The IUPAC name of [1-(2-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine (CID 66440981) is [1-(2-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine.
What is the SMILES notation for [1-(2-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine?
The canonical SMILES for [1-(2-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine is COc1ccccc1-n1ncc(CN)c1C(C)C.
What is the InChIKey of [1-(2-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine?
The InChIKey is XMLMQPYQCWEGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(2)14-11(8-15)9-16-17(14)12-6-4-5-7-13(12)18-3/h4-7,9-10H,8,15H2,1-3H3.
What are the key properties of [1-(2-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine?
[1-(2-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine has a molecular weight of 245.33 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine is sourced from PubChem (CID 66440981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).