3-butyl-1-(3-pyridin-3-ylphenyl)pyrazol-5-amine

C18H20N4 — CID 143256295

IUPAC3-butyl-1-(3-pyridin-3-ylphenyl)pyrazol-5-amine
SMILESCCCCc1cc(N)n(-c2cccc(-c3cccnc3)c2)n1
InChIInChI=1S/C18H20N4/c1-2-3-8-16-12-18(19)22(21-16)17-9-4-6-14(11-17)15-7-5-10-20-13-15/h4-7,9-13H,2-3,8,19H2,1H3
InChIKeyXZJURPZXQCYCRT-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.86
Rot. Bonds5

About 3-butyl-1-(3-pyridin-3-ylphenyl)pyrazol-5-amine

3-butyl-1-(3-pyridin-3-ylphenyl)pyrazol-5-amine (PubChem CID 143256295) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 3-butyl-1-(3-pyridin-3-ylphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-butyl-1-(3-pyridin-3-ylphenyl)pyrazol-5-amine
PubChem CID143256295
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name3-butyl-1-(3-pyridin-3-ylphenyl)pyrazol-5-amine
SMILESCCCCc1cc(N)n(-c2cccc(-c3cccnc3)c2)n1
InChIInChI=1S/C18H20N4/c1-2-3-8-16-12-18(19)22(21-16)17-9-4-6-14(11-17)15-7-5-10-20-13-15/h4-7,9-13H,2-3,8,19H2,1H3
InChIKeyXZJURPZXQCYCRT-UHFFFAOYSA-N
XLogP3.86
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-butyl-1-pyridin-3-ylpyrazol-5-amine
CID 174520320
2-[3-(5-amino-3-butylpyrazol-1-yl)phenyl]acetamide
CID 143256407
ethyl 3-[3-(5-amino-3-butylpyrazol-1-yl)phenyl]-2-methylpropanoate
CID 143176977
3-butyl-1-(4-fluorophenyl)pyrazol-5-amine
CID 82082766
1-phenyl-3-[3-(pyridin-3-ylmethylamino)propyl]pyrazol-5-amine;hydrochloride
CID 71933909
3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;propane
CID 144612655
3-(3-propylphenyl)pyridine
CID 69055272
ethyl 4-(5-amino-3-butylpyrazol-1-yl)benzoate
CID 143256280
8-(5-amino-3-butylpyrazol-1-yl)-1,2,3,5-tetrahydro-3-benzazepin-4-one
CID 143256679
3-(5-butylthiophen-3-yl)pyridine
CID 66814016
1-(4-chlorophenyl)-3-propylpyrazol-5-amine
CID 82083521
2,4-dipyridin-3-ylaniline
CID 46316358

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-(3-pyridin-3-ylphenyl)pyrazol-5-amine?
The IUPAC name of 3-butyl-1-(3-pyridin-3-ylphenyl)pyrazol-5-amine (CID 143256295) is 3-butyl-1-(3-pyridin-3-ylphenyl)pyrazol-5-amine.
What is the SMILES notation for 3-butyl-1-(3-pyridin-3-ylphenyl)pyrazol-5-amine?
The canonical SMILES for 3-butyl-1-(3-pyridin-3-ylphenyl)pyrazol-5-amine is CCCCc1cc(N)n(-c2cccc(-c3cccnc3)c2)n1.
What is the InChIKey of 3-butyl-1-(3-pyridin-3-ylphenyl)pyrazol-5-amine?
The InChIKey is XZJURPZXQCYCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-2-3-8-16-12-18(19)22(21-16)17-9-4-6-14(11-17)15-7-5-10-20-13-15/h4-7,9-13H,2-3,8,19H2,1H3.
What are the key properties of 3-butyl-1-(3-pyridin-3-ylphenyl)pyrazol-5-amine?
3-butyl-1-(3-pyridin-3-ylphenyl)pyrazol-5-amine has a molecular weight of 292.39 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-(3-pyridin-3-ylphenyl)pyrazol-5-amine is sourced from PubChem (CID 143256295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).