4-(5-methyl-2-propan-2-ylpyrazol-3-yl)pyridin-2-amine

C12H16N4 — CID 70851780

IUPAC4-(5-methyl-2-propan-2-ylpyrazol-3-yl)pyridin-2-amine
SMILESCc1cc(-c2ccnc(N)c2)n(C(C)C)n1
InChIInChI=1S/C12H16N4/c1-8(2)16-11(6-9(3)15-16)10-4-5-14-12(13)7-10/h4-8H,1-3H3,(H2,13,14)
InChIKeyLRJAVALMSVNFAU-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.42
Rot. Bonds2

About 4-(5-methyl-2-propan-2-ylpyrazol-3-yl)pyridin-2-amine

4-(5-methyl-2-propan-2-ylpyrazol-3-yl)pyridin-2-amine (PubChem CID 70851780) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 4-(5-methyl-2-propan-2-ylpyrazol-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-(5-methyl-2-propan-2-ylpyrazol-3-yl)pyridin-2-amine
PubChem CID70851780
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name4-(5-methyl-2-propan-2-ylpyrazol-3-yl)pyridin-2-amine
SMILESCc1cc(-c2ccnc(N)c2)n(C(C)C)n1
InChIInChI=1S/C12H16N4/c1-8(2)16-11(6-9(3)15-16)10-4-5-14-12(13)7-10/h4-8H,1-3H3,(H2,13,14)
InChIKeyLRJAVALMSVNFAU-UHFFFAOYSA-N
XLogP2.42
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-2-propan-2-ylpyrazol-3-yl)pyridin-2-amine?
The IUPAC name of 4-(5-methyl-2-propan-2-ylpyrazol-3-yl)pyridin-2-amine (CID 70851780) is 4-(5-methyl-2-propan-2-ylpyrazol-3-yl)pyridin-2-amine.
What is the SMILES notation for 4-(5-methyl-2-propan-2-ylpyrazol-3-yl)pyridin-2-amine?
The canonical SMILES for 4-(5-methyl-2-propan-2-ylpyrazol-3-yl)pyridin-2-amine is Cc1cc(-c2ccnc(N)c2)n(C(C)C)n1.
What is the InChIKey of 4-(5-methyl-2-propan-2-ylpyrazol-3-yl)pyridin-2-amine?
The InChIKey is LRJAVALMSVNFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-8(2)16-11(6-9(3)15-16)10-4-5-14-12(13)7-10/h4-8H,1-3H3,(H2,13,14).
What are the key properties of 4-(5-methyl-2-propan-2-ylpyrazol-3-yl)pyridin-2-amine?
4-(5-methyl-2-propan-2-ylpyrazol-3-yl)pyridin-2-amine has a molecular weight of 216.29 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-2-propan-2-ylpyrazol-3-yl)pyridin-2-amine is sourced from PubChem (CID 70851780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).