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

C13H16ClN3O — CID 94277704

IUPAC3-[4-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]propan-1-amine
SMILESCOc1ccc(Cl)cc1-c1cnn(CCCN)c1
InChIInChI=1S/C13H16ClN3O/c1-18-13-4-3-11(14)7-12(13)10-8-16-17(9-10)6-2-5-15/h3-4,7-9H,2,5-6,15H2,1H3
InChIKeyOSPPJLOJRVAXNS-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.56
Rot. Bonds5

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

3-[4-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]propan-1-amine (PubChem CID 94277704) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 3-[4-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]propan-1-amine
PubChem CID94277704
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name3-[4-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]propan-1-amine
SMILESCOc1ccc(Cl)cc1-c1cnn(CCCN)c1
InChIInChI=1S/C13H16ClN3O/c1-18-13-4-3-11(14)7-12(13)10-8-16-17(9-10)6-2-5-15/h3-4,7-9H,2,5-6,15H2,1H3
InChIKeyOSPPJLOJRVAXNS-UHFFFAOYSA-N
XLogP2.56
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-ethoxyphenyl)pyrazol-1-yl]propan-1-amine;hydrochloride
CID 164608406
3-(4-phenylpyrazol-1-yl)propan-1-amine;hydrochloride
CID 164608398
3-[4-[2-(2-methylpropoxy)phenyl]pyrazol-1-yl]propan-1-amine;hydrochloride
CID 164608410
1-(2-aminoethyl)-N-(5-chloro-2-methoxyphenyl)pyrazole-4-sulfonamide
CID 106059592
3-[4-(4-propan-2-yloxyphenyl)pyrazol-1-yl]propan-1-amine
CID 164608378
3-[4-(3-chlorophenoxy)pyrazol-1-yl]propan-1-amine
CID 115055461
3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]pyrazol-1-yl]propan-1-amine
CID 164608415
3-[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]propan-1-amine
CID 164608391
10-(4-phenylpyrazol-1-yl)decan-1-amine
CID 150162722
(5-chloro-2-methoxyphenyl)-(1-propylpyrazol-4-yl)methanone
CID 114963832
3-[4-(4-methoxyphenoxy)pyrazol-1-yl]propan-1-amine
CID 115055561
1-(3-chloropropyl)-4-(4-methoxyphenyl)pyrazole
CID 22715717

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]propan-1-amine (CID 94277704) is 3-[4-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]propan-1-amine is COc1ccc(Cl)cc1-c1cnn(CCCN)c1.
What is the InChIKey of 3-[4-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]propan-1-amine?
The InChIKey is OSPPJLOJRVAXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-18-13-4-3-11(14)7-12(13)10-8-16-17(9-10)6-2-5-15/h3-4,7-9H,2,5-6,15H2,1H3.
What are the key properties of 3-[4-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]propan-1-amine?
3-[4-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]propan-1-amine has a molecular weight of 265.74 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]propan-1-amine is sourced from PubChem (CID 94277704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).