2-(1-methylpyrazol-3-yl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

C14H19N5 — CID 114742712

IUPAC2-(1-methylpyrazol-3-yl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCCCc1nc(-c2ccn(C)n2)nc2c1CCNC2
InChIInChI=1S/C14H19N5/c1-3-4-11-10-5-7-15-9-13(10)17-14(16-11)12-6-8-19(2)18-12/h6,8,15H,3-5,7,9H2,1-2H3
InChIKeyVRPDMMBCIXJVBA-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.48
Rot. Bonds3

About 2-(1-methylpyrazol-3-yl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

2-(1-methylpyrazol-3-yl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 114742712) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID114742712
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name2-(1-methylpyrazol-3-yl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCCCc1nc(-c2ccn(C)n2)nc2c1CCNC2
InChIInChI=1S/C14H19N5/c1-3-4-11-10-5-7-15-9-13(10)17-14(16-11)12-6-8-19(2)18-12/h6,8,15H,3-5,7,9H2,1-2H3
InChIKeyVRPDMMBCIXJVBA-UHFFFAOYSA-N
XLogP1.48
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1-methylpyrazol-3-yl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-3-yl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 2-(1-methylpyrazol-3-yl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 114742712) is 2-(1-methylpyrazol-3-yl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is CCCc1nc(-c2ccn(C)n2)nc2c1CCNC2.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is VRPDMMBCIXJVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-3-4-11-10-5-7-15-9-13(10)17-14(16-11)12-6-8-19(2)18-12/h6,8,15H,3-5,7,9H2,1-2H3.
What are the key properties of 2-(1-methylpyrazol-3-yl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
2-(1-methylpyrazol-3-yl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 257.34 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-3-yl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 114742712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).