N-butan-2-yl-1-pyridin-2-ylpyrazol-4-amine

C12H16N4 — CID 115922504

IUPACN-butan-2-yl-1-pyridin-2-ylpyrazol-4-amine
SMILESCCC(C)Nc1cnn(-c2ccccn2)c1
InChIInChI=1S/C12H16N4/c1-3-10(2)15-11-8-14-16(9-11)12-6-4-5-7-13-12/h4-10,15H,3H2,1-2H3
InChIKeyCALAEIWLJWJFLN-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.48
Rot. Bonds4

About N-butan-2-yl-1-pyridin-2-ylpyrazol-4-amine

N-butan-2-yl-1-pyridin-2-ylpyrazol-4-amine (PubChem CID 115922504) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-butan-2-yl-1-pyridin-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-1-pyridin-2-ylpyrazol-4-amine
PubChem CID115922504
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN-butan-2-yl-1-pyridin-2-ylpyrazol-4-amine
SMILESCCC(C)Nc1cnn(-c2ccccn2)c1
InChIInChI=1S/C12H16N4/c1-3-10(2)15-11-8-14-16(9-11)12-6-4-5-7-13-12/h4-10,15H,3H2,1-2H3
InChIKeyCALAEIWLJWJFLN-UHFFFAOYSA-N
XLogP2.48
TPSA42.74 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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-phenoxyphenyl)butyl]-1-pyridin-2-ylpyrazol-4-amine
CID 166338665
2-(4-propan-2-ylpyrazol-1-yl)pyridine
CID 58142776
N-[(1-pyridin-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 61272105
N-[(1-pyridin-2-ylpyrazol-4-yl)methyl]ethanamine
CID 61271907
N-[(1R)-1-phenylethyl]-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 95738742
2-methyl-N-[3-(1-pyridin-2-ylpyrazol-4-yl)propyl]propan-1-amine
CID 55111261
1-methyl-N-(1-pyridin-2-ylpyrazol-4-yl)triazole-4-carboxamide
CID 110471594
N-butan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112940718
2-[4-(butan-2-ylamino)pyrazol-1-yl]ethanol
CID 115922691
1-pyridin-2-ylpyrazole-4-carbonyl chloride
CID 83814309
2-[4-(1-butan-2-ylpyrazol-4-yl)triazol-1-yl]pyridine
CID 166341685
N-butan-2-yl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793345

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-pyridin-2-ylpyrazol-4-amine?
The IUPAC name of N-butan-2-yl-1-pyridin-2-ylpyrazol-4-amine (CID 115922504) is N-butan-2-yl-1-pyridin-2-ylpyrazol-4-amine.
What is the SMILES notation for N-butan-2-yl-1-pyridin-2-ylpyrazol-4-amine?
The canonical SMILES for N-butan-2-yl-1-pyridin-2-ylpyrazol-4-amine is CCC(C)Nc1cnn(-c2ccccn2)c1.
What is the InChIKey of N-butan-2-yl-1-pyridin-2-ylpyrazol-4-amine?
The InChIKey is CALAEIWLJWJFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-3-10(2)15-11-8-14-16(9-11)12-6-4-5-7-13-12/h4-10,15H,3H2,1-2H3.
What are the key properties of N-butan-2-yl-1-pyridin-2-ylpyrazol-4-amine?
N-butan-2-yl-1-pyridin-2-ylpyrazol-4-amine has a molecular weight of 216.29 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-pyridin-2-ylpyrazol-4-amine is sourced from PubChem (CID 115922504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).