4-propyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-4-carboxylic acid

C15H20N4O2 — CID 115372064

IUPAC4-propyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2ccn3nccc3n2)CC1
InChIInChI=1S/C15H20N4O2/c1-2-5-15(14(20)21)6-10-18(11-7-15)12-4-9-19-13(17-12)3-8-16-19/h3-4,8-9H,2,5-7,10-11H2,1H3,(H,20,21)
InChIKeyMTTDCTQUANWBOV-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.20
Rot. Bonds4

About 4-propyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-4-carboxylic acid

4-propyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-4-carboxylic acid (PubChem CID 115372064) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-propyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-propyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-4-carboxylic acid
PubChem CID115372064
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-propyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2ccn3nccc3n2)CC1
InChIInChI=1S/C15H20N4O2/c1-2-5-15(14(20)21)6-10-18(11-7-15)12-4-9-19-13(17-12)3-8-16-19/h3-4,8-9H,2,5-7,10-11H2,1H3,(H,20,21)
InChIKeyMTTDCTQUANWBOV-UHFFFAOYSA-N
XLogP2.20
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-4-carboxylic acid?
The IUPAC name of 4-propyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-4-carboxylic acid (CID 115372064) is 4-propyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-propyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-propyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(c2ccn3nccc3n2)CC1.
What is the InChIKey of 4-propyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-4-carboxylic acid?
The InChIKey is MTTDCTQUANWBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-2-5-15(14(20)21)6-10-18(11-7-15)12-4-9-19-13(17-12)3-8-16-19/h3-4,8-9H,2,5-7,10-11H2,1H3,(H,20,21).
What are the key properties of 4-propyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-4-carboxylic acid?
4-propyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-4-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 115372064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).