3-[3-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-1-carboxylic acid

C15H18N4O2 — CID 134499139

IUPAC3-[3-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-1-carboxylic acid
SMILESO=C(O)n1ccc(CCCC2CCc3cccnc3N2)n1
InChIInChI=1S/C15H18N4O2/c20-15(21)19-10-8-13(18-19)5-1-4-12-7-6-11-3-2-9-16-14(11)17-12/h2-3,8-10,12H,1,4-7H2,(H,16,17)(H,20,21)
InChIKeyXNAFFMFAGRASFI-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.55
Rot. Bonds4

About 3-[3-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-1-carboxylic acid

3-[3-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-1-carboxylic acid (PubChem CID 134499139) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-[3-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-1-carboxylic acid.

Molecular Properties

Compound Name3-[3-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-1-carboxylic acid
PubChem CID134499139
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name3-[3-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-1-carboxylic acid
SMILESO=C(O)n1ccc(CCCC2CCc3cccnc3N2)n1
InChIInChI=1S/C15H18N4O2/c20-15(21)19-10-8-13(18-19)5-1-4-12-7-6-11-3-2-9-16-14(11)17-12/h2-3,8-10,12H,1,4-7H2,(H,16,17)(H,20,21)
InChIKeyXNAFFMFAGRASFI-UHFFFAOYSA-N
XLogP2.55
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-1-carboxylic acid?
The IUPAC name of 3-[3-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-1-carboxylic acid (CID 134499139) is 3-[3-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-1-carboxylic acid.
What is the SMILES notation for 3-[3-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-1-carboxylic acid?
The canonical SMILES for 3-[3-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-1-carboxylic acid is O=C(O)n1ccc(CCCC2CCc3cccnc3N2)n1.
What is the InChIKey of 3-[3-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-1-carboxylic acid?
The InChIKey is XNAFFMFAGRASFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-15(21)19-10-8-13(18-19)5-1-4-12-7-6-11-3-2-9-16-14(11)17-12/h2-3,8-10,12H,1,4-7H2,(H,16,17)(H,20,21).
What are the key properties of 3-[3-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-1-carboxylic acid?
3-[3-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-1-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-1-carboxylic acid is sourced from PubChem (CID 134499139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).