3-(4-methoxyphenyl)-1-propylpyrazol-5-amine

C13H17N3O — CID 61265330

IUPAC3-(4-methoxyphenyl)-1-propylpyrazol-5-amine
SMILESCCCn1nc(-c2ccc(OC)cc2)cc1N
InChIInChI=1S/C13H17N3O/c1-3-8-16-13(14)9-12(15-16)10-4-6-11(17-2)7-5-10/h4-7,9H,3,8,14H2,1-2H3
InChIKeyIUQZPVPSFKXMNW-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.55
Rot. Bonds4

About 3-(4-methoxyphenyl)-1-propylpyrazol-5-amine

3-(4-methoxyphenyl)-1-propylpyrazol-5-amine (PubChem CID 61265330) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-propylpyrazol-5-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-propylpyrazol-5-amine
PubChem CID61265330
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-(4-methoxyphenyl)-1-propylpyrazol-5-amine
SMILESCCCn1nc(-c2ccc(OC)cc2)cc1N
InChIInChI=1S/C13H17N3O/c1-3-8-16-13(14)9-12(15-16)10-4-6-11(17-2)7-5-10/h4-7,9H,3,8,14H2,1-2H3
InChIKeyIUQZPVPSFKXMNW-UHFFFAOYSA-N
XLogP2.55
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(chloromethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446854
4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446847
[1-ethyl-3-(4-methoxyphenyl)pyrazol-5-yl]methanamine
CID 84761591
4-amino-6-(4-ethoxyphenyl)-2-propylpyridazin-3-one
CID 82467559
2-[5-amino-3-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethanol
CID 116628785
2-butyl-6-(4-methoxyphenyl)-4-(sulfanylmethyl)pyridazin-3-one
CID 82447182
1-[2-(dimethylamino)ethyl]-3-(4-methylphenyl)pyrazol-5-amine
CID 62687876
5-bromo-3-(4-methoxyphenyl)-1-methylpyrazole
CID 84711805
1-propylpyrazole-3,5-diamine
CID 61265522
4-(2-aminopropan-2-yl)-2-ethyl-6-(4-methoxyphenyl)pyridazin-3-one
CID 82445115
2-[5-amino-3-(4-iodophenyl)pyrazol-1-yl]ethanol
CID 43348875
2-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-amine
CID 162403536

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-propylpyrazol-5-amine?
The IUPAC name of 3-(4-methoxyphenyl)-1-propylpyrazol-5-amine (CID 61265330) is 3-(4-methoxyphenyl)-1-propylpyrazol-5-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-propylpyrazol-5-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-1-propylpyrazol-5-amine is CCCn1nc(-c2ccc(OC)cc2)cc1N.
What is the InChIKey of 3-(4-methoxyphenyl)-1-propylpyrazol-5-amine?
The InChIKey is IUQZPVPSFKXMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-8-16-13(14)9-12(15-16)10-4-6-11(17-2)7-5-10/h4-7,9H,3,8,14H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-1-propylpyrazol-5-amine?
3-(4-methoxyphenyl)-1-propylpyrazol-5-amine has a molecular weight of 231.30 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-propylpyrazol-5-amine is sourced from PubChem (CID 61265330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).