2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]propan-2-amine

C13H17N3O — CID 83850457

IUPAC2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]propan-2-amine
SMILESCOc1ccc(-c2cc(C(C)(C)N)[nH]n2)cc1
InChIInChI=1S/C13H17N3O/c1-13(2,14)12-8-11(15-16-12)9-4-6-10(17-3)7-5-9/h4-8H,14H2,1-3H3,(H,15,16)
InChIKeyIYPAMBOEDQVDOG-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.28
Rot. Bonds3

About 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]propan-2-amine

2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]propan-2-amine (PubChem CID 83850457) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]propan-2-amine
PubChem CID83850457
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]propan-2-amine
SMILESCOc1ccc(-c2cc(C(C)(C)N)[nH]n2)cc1
InChIInChI=1S/C13H17N3O/c1-13(2,14)12-8-11(15-16-12)9-4-6-10(17-3)7-5-9/h4-8H,14H2,1-3H3,(H,15,16)
InChIKeyIYPAMBOEDQVDOG-UHFFFAOYSA-N
XLogP2.28
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-2-amine
CID 83849137
2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propan-2-amine
CID 83850813
5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(4-methoxyphenyl)-1H-pyrazole
CID 2782546
5-[4-(4-tert-butylphenyl)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole
CID 166627944
3-(4-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazole
CID 18175413
5-(1,1-difluoroethyl)-3-(3-methoxyphenyl)-1H-pyrazole
CID 142088621
5-(chloromethyl)-3-(4-methoxyphenyl)-1H-pyrazole
CID 75528285
5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-pyrazole
CID 46888077
5-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole
CID 102325228
3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]butan-2-ol
CID 14568875
4-(2-aminopropan-2-yl)-2-ethyl-6-(4-methoxyphenyl)pyridazin-3-one
CID 82445115
2,4,6-tris(4-methoxyphenyl)pyrimidine
CID 11784296

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]propan-2-amine?
The IUPAC name of 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]propan-2-amine (CID 83850457) is 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]propan-2-amine.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]propan-2-amine?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]propan-2-amine is COc1ccc(-c2cc(C(C)(C)N)[nH]n2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]propan-2-amine?
The InChIKey is IYPAMBOEDQVDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-13(2,14)12-8-11(15-16-12)9-4-6-10(17-3)7-5-9/h4-8H,14H2,1-3H3,(H,15,16).
What are the key properties of 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]propan-2-amine?
2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]propan-2-amine has a molecular weight of 231.30 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]propan-2-amine is sourced from PubChem (CID 83850457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).