3-butyl-1-pyridin-3-ylpyrazol-5-amine

C12H16N4 — CID 174520320

IUPAC3-butyl-1-pyridin-3-ylpyrazol-5-amine
SMILESCCCCc1cc(N)n(-c2cccnc2)n1
InChIInChI=1S/C12H16N4/c1-2-3-5-10-8-12(13)16(15-10)11-6-4-7-14-9-11/h4,6-9H,2-3,5,13H2,1H3
InChIKeyONACBWFBVDWCKE-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.19
Rot. Bonds4

About 3-butyl-1-pyridin-3-ylpyrazol-5-amine

3-butyl-1-pyridin-3-ylpyrazol-5-amine (PubChem CID 174520320) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 3-butyl-1-pyridin-3-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-butyl-1-pyridin-3-ylpyrazol-5-amine
PubChem CID174520320
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name3-butyl-1-pyridin-3-ylpyrazol-5-amine
SMILESCCCCc1cc(N)n(-c2cccnc2)n1
InChIInChI=1S/C12H16N4/c1-2-3-5-10-8-12(13)16(15-10)11-6-4-7-14-9-11/h4,6-9H,2-3,5,13H2,1H3
InChIKeyONACBWFBVDWCKE-UHFFFAOYSA-N
XLogP2.19
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-butyl-1-(3-pyridin-3-ylphenyl)pyrazol-5-amine
CID 143256295
3-heptyl-1-phenylpyrazol-5-amine
CID 43336725
3-butyl-1-(4-fluorophenyl)pyrazol-5-amine
CID 82082766
1-phenyl-3-[3-(pyridin-3-ylmethylamino)propyl]pyrazol-5-amine;hydrochloride
CID 71933909
2-[3-(5-amino-3-butylpyrazol-1-yl)phenyl]acetamide
CID 143256407
ethyl 4-(5-amino-3-butylpyrazol-1-yl)benzoate
CID 143256280
ethyl 3-[3-(5-amino-3-butylpyrazol-1-yl)phenyl]-2-methylpropanoate
CID 143176977
4-(5-amino-3-butylpyrazol-1-yl)-2-chlorobenzoic acid
CID 137427954
1-(4-chlorophenyl)-3-propylpyrazol-5-amine
CID 82083521
8-(5-amino-3-butylpyrazol-1-yl)-1,2,3,5-tetrahydro-3-benzazepin-4-one
CID 143256679
1-(4-tert-butylphenyl)-3-propylpyrazol-5-amine
CID 82089365
1-(3-bromo-4-methylphenyl)-3-propylpyrazol-5-amine
CID 82094414

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-pyridin-3-ylpyrazol-5-amine?
The IUPAC name of 3-butyl-1-pyridin-3-ylpyrazol-5-amine (CID 174520320) is 3-butyl-1-pyridin-3-ylpyrazol-5-amine.
What is the SMILES notation for 3-butyl-1-pyridin-3-ylpyrazol-5-amine?
The canonical SMILES for 3-butyl-1-pyridin-3-ylpyrazol-5-amine is CCCCc1cc(N)n(-c2cccnc2)n1.
What is the InChIKey of 3-butyl-1-pyridin-3-ylpyrazol-5-amine?
The InChIKey is ONACBWFBVDWCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-2-3-5-10-8-12(13)16(15-10)11-6-4-7-14-9-11/h4,6-9H,2-3,5,13H2,1H3.
What are the key properties of 3-butyl-1-pyridin-3-ylpyrazol-5-amine?
3-butyl-1-pyridin-3-ylpyrazol-5-amine has a molecular weight of 216.29 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-pyridin-3-ylpyrazol-5-amine is sourced from PubChem (CID 174520320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).