[4,6-dimethyl-2-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methanamine

C14H20N4 — CID 62488465

IUPAC[4,6-dimethyl-2-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methanamine
SMILESCc1cc(C)c(CN)c(-n2ccc(C(C)C)n2)n1
InChIInChI=1S/C14H20N4/c1-9(2)13-5-6-18(17-13)14-12(8-15)10(3)7-11(4)16-14/h5-7,9H,8,15H2,1-4H3
InChIKeyROHBSCPXZOAJHN-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.47
Rot. Bonds3

About [4,6-dimethyl-2-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methanamine

[4,6-dimethyl-2-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methanamine (PubChem CID 62488465) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is [4,6-dimethyl-2-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4,6-dimethyl-2-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methanamine
PubChem CID62488465
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name[4,6-dimethyl-2-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methanamine
SMILESCc1cc(C)c(CN)c(-n2ccc(C(C)C)n2)n1
InChIInChI=1S/C14H20N4/c1-9(2)13-5-6-18(17-13)14-12(8-15)10(3)7-11(4)16-14/h5-7,9H,8,15H2,1-4H3
InChIKeyROHBSCPXZOAJHN-UHFFFAOYSA-N
XLogP2.47
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4,6-dimethyl-2-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methanamine?
The IUPAC name of [4,6-dimethyl-2-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methanamine (CID 62488465) is [4,6-dimethyl-2-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [4,6-dimethyl-2-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [4,6-dimethyl-2-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methanamine is Cc1cc(C)c(CN)c(-n2ccc(C(C)C)n2)n1.
What is the InChIKey of [4,6-dimethyl-2-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methanamine?
The InChIKey is ROHBSCPXZOAJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-9(2)13-5-6-18(17-13)14-12(8-15)10(3)7-11(4)16-14/h5-7,9H,8,15H2,1-4H3.
What are the key properties of [4,6-dimethyl-2-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methanamine?
[4,6-dimethyl-2-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methanamine has a molecular weight of 244.34 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-dimethyl-2-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 62488465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).