1-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-methylmethanamine

C12H16N4 — CID 121213633

IUPAC1-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-methylmethanamine
SMILESCCn1cc(CNC)c(-c2cccnc2)n1
InChIInChI=1S/C12H16N4/c1-3-16-9-11(7-13-2)12(15-16)10-5-4-6-14-8-10/h4-6,8-9,13H,3,7H2,1-2H3
InChIKeyDPUNFJGODWUYDF-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.68
Rot. Bonds4

About 1-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-methylmethanamine

1-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-methylmethanamine (PubChem CID 121213633) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 1-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-methylmethanamine
PubChem CID121213633
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name1-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-methylmethanamine
SMILESCCn1cc(CNC)c(-c2cccnc2)n1
InChIInChI=1S/C12H16N4/c1-3-16-9-11(7-13-2)12(15-16)10-5-4-6-14-8-10/h4-6,8-9,13H,3,7H2,1-2H3
InChIKeyDPUNFJGODWUYDF-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-methylmethanamine (CID 121213633) is 1-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-methylmethanamine is CCn1cc(CNC)c(-c2cccnc2)n1.
What is the InChIKey of 1-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-methylmethanamine?
The InChIKey is DPUNFJGODWUYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-3-16-9-11(7-13-2)12(15-16)10-5-4-6-14-8-10/h4-6,8-9,13H,3,7H2,1-2H3.
What are the key properties of 1-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-methylmethanamine?
1-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-methylmethanamine has a molecular weight of 216.29 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 121213633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).