3-N-methyl-5-N-(2-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide

C18H23N5O2 — CID 119073052

IUPAC3-N-methyl-5-N-(2-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
SMILESCNC(=O)c1n[nH]c2c1CN(C(=O)NCC(C)c1ccccc1)CC2
InChIInChI=1S/C18H23N5O2/c1-12(13-6-4-3-5-7-13)10-20-18(25)23-9-8-15-14(11-23)16(22-21-15)17(24)19-2/h3-7,12H,8-11H2,1-2H3,(H,19,24)(H,20,25)(H,21,22)
InChIKeyHUSLTDYXBAMEQG-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.64
Rot. Bonds4

About 3-N-methyl-5-N-(2-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide

3-N-methyl-5-N-(2-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide (PubChem CID 119073052) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 3-N-methyl-5-N-(2-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-methyl-5-N-(2-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
PubChem CID119073052
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name3-N-methyl-5-N-(2-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
SMILESCNC(=O)c1n[nH]c2c1CN(C(=O)NCC(C)c1ccccc1)CC2
InChIInChI=1S/C18H23N5O2/c1-12(13-6-4-3-5-7-13)10-20-18(25)23-9-8-15-14(11-23)16(22-21-15)17(24)19-2/h3-7,12H,8-11H2,1-2H3,(H,19,24)(H,20,25)(H,21,22)
InChIKeyHUSLTDYXBAMEQG-UHFFFAOYSA-N
XLogP1.64
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-5-N-(2-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-methyl-5-N-(2-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide (CID 119073052) is 3-N-methyl-5-N-(2-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-methyl-5-N-(2-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-methyl-5-N-(2-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide is CNC(=O)c1n[nH]c2c1CN(C(=O)NCC(C)c1ccccc1)CC2.
What is the InChIKey of 3-N-methyl-5-N-(2-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide?
The InChIKey is HUSLTDYXBAMEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-12(13-6-4-3-5-7-13)10-20-18(25)23-9-8-15-14(11-23)16(22-21-15)17(24)19-2/h3-7,12H,8-11H2,1-2H3,(H,19,24)(H,20,25)(H,21,22).
What are the key properties of 3-N-methyl-5-N-(2-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide?
3-N-methyl-5-N-(2-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-5-N-(2-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 119073052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).