3-cyclopropyl-1-methyl-N-[(2,4,6-trimethyl-3-pyridinyl)methyl]pyrazol-4-amine

C16H22N4 — CID 154769665

IUPAC3-cyclopropyl-1-methyl-N-[(2,4,6-trimethyl-3-pyridinyl)methyl]pyrazol-4-amine
SMILESCc1cc(C)c(CNc2cn(C)nc2C2CC2)c(C)n1
InChIInChI=1S/C16H22N4/c1-10-7-11(2)18-12(3)14(10)8-17-15-9-20(4)19-16(15)13-5-6-13/h7,9,13,17H,5-6,8H2,1-4H3
InChIKeyVDESZXYPLQLPDA-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.23
Rot. Bonds4

About 3-cyclopropyl-1-methyl-N-[(2,4,6-trimethyl-3-pyridinyl)methyl]pyrazol-4-amine

3-cyclopropyl-1-methyl-N-[(2,4,6-trimethyl-3-pyridinyl)methyl]pyrazol-4-amine (PubChem CID 154769665) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-N-[(2,4,6-trimethyl-3-pyridinyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name3-cyclopropyl-1-methyl-N-[(2,4,6-trimethyl-3-pyridinyl)methyl]pyrazol-4-amine
PubChem CID154769665
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name3-cyclopropyl-1-methyl-N-[(2,4,6-trimethyl-3-pyridinyl)methyl]pyrazol-4-amine
SMILESCc1cc(C)c(CNc2cn(C)nc2C2CC2)c(C)n1
InChIInChI=1S/C16H22N4/c1-10-7-11(2)18-12(3)14(10)8-17-15-9-20(4)19-16(15)13-5-6-13/h7,9,13,17H,5-6,8H2,1-4H3
InChIKeyVDESZXYPLQLPDA-UHFFFAOYSA-N
XLogP3.23
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methyl-N-[(2,4,6-trimethyl-3-pyridinyl)methyl]pyrazol-4-amine?
The IUPAC name of 3-cyclopropyl-1-methyl-N-[(2,4,6-trimethyl-3-pyridinyl)methyl]pyrazol-4-amine (CID 154769665) is 3-cyclopropyl-1-methyl-N-[(2,4,6-trimethyl-3-pyridinyl)methyl]pyrazol-4-amine.
What is the SMILES notation for 3-cyclopropyl-1-methyl-N-[(2,4,6-trimethyl-3-pyridinyl)methyl]pyrazol-4-amine?
The canonical SMILES for 3-cyclopropyl-1-methyl-N-[(2,4,6-trimethyl-3-pyridinyl)methyl]pyrazol-4-amine is Cc1cc(C)c(CNc2cn(C)nc2C2CC2)c(C)n1.
What is the InChIKey of 3-cyclopropyl-1-methyl-N-[(2,4,6-trimethyl-3-pyridinyl)methyl]pyrazol-4-amine?
The InChIKey is VDESZXYPLQLPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-10-7-11(2)18-12(3)14(10)8-17-15-9-20(4)19-16(15)13-5-6-13/h7,9,13,17H,5-6,8H2,1-4H3.
What are the key properties of 3-cyclopropyl-1-methyl-N-[(2,4,6-trimethyl-3-pyridinyl)methyl]pyrazol-4-amine?
3-cyclopropyl-1-methyl-N-[(2,4,6-trimethyl-3-pyridinyl)methyl]pyrazol-4-amine has a molecular weight of 270.38 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methyl-N-[(2,4,6-trimethyl-3-pyridinyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 154769665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).