1-(1-ethyl-3-pyridin-4-ylpyrazol-5-yl)-N-methylmethanamine

C12H16N4 — CID 121210948

IUPAC1-(1-ethyl-3-pyridin-4-ylpyrazol-5-yl)-N-methylmethanamine
SMILESCCn1nc(-c2ccncc2)cc1CNC
InChIInChI=1S/C12H16N4/c1-3-16-11(9-13-2)8-12(15-16)10-4-6-14-7-5-10/h4-8,13H,3,9H2,1-2H3
InChIKeyBXYOTLCXJURWQT-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.68
Rot. Bonds4

About 1-(1-ethyl-3-pyridin-4-ylpyrazol-5-yl)-N-methylmethanamine

1-(1-ethyl-3-pyridin-4-ylpyrazol-5-yl)-N-methylmethanamine (PubChem CID 121210948) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 1-(1-ethyl-3-pyridin-4-ylpyrazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-ethyl-3-pyridin-4-ylpyrazol-5-yl)-N-methylmethanamine
PubChem CID121210948
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name1-(1-ethyl-3-pyridin-4-ylpyrazol-5-yl)-N-methylmethanamine
SMILESCCn1nc(-c2ccncc2)cc1CNC
InChIInChI=1S/C12H16N4/c1-3-16-11(9-13-2)8-12(15-16)10-4-6-14-7-5-10/h4-8,13H,3,9H2,1-2H3
InChIKeyBXYOTLCXJURWQT-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-4-ylpyrazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-ethyl-3-pyridin-4-ylpyrazol-5-yl)-N-methylmethanamine (CID 121210948) is 1-(1-ethyl-3-pyridin-4-ylpyrazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-ethyl-3-pyridin-4-ylpyrazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-ethyl-3-pyridin-4-ylpyrazol-5-yl)-N-methylmethanamine is CCn1nc(-c2ccncc2)cc1CNC.
What is the InChIKey of 1-(1-ethyl-3-pyridin-4-ylpyrazol-5-yl)-N-methylmethanamine?
The InChIKey is BXYOTLCXJURWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-3-16-11(9-13-2)8-12(15-16)10-4-6-14-7-5-10/h4-8,13H,3,9H2,1-2H3.
What are the key properties of 1-(1-ethyl-3-pyridin-4-ylpyrazol-5-yl)-N-methylmethanamine?
1-(1-ethyl-3-pyridin-4-ylpyrazol-5-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-4-ylpyrazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 121210948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).