(3,5-dichloropyrazolo[1,5-a]pyrimidin-7-yl)carbamic acid

C7H4Cl2N4O2 — CID 175823311

IUPAC(3,5-dichloropyrazolo[1,5-a]pyrimidin-7-yl)carbamic acid
SMILESO=C(O)Nc1cc(Cl)nc2c(Cl)cnn12
InChIInChI=1S/C7H4Cl2N4O2/c8-3-2-10-13-5(12-7(14)15)1-4(9)11-6(3)13/h1-2,12H,(H,14,15)
InChIKeyPLTHLQXTRLDDPK-UHFFFAOYSA-N
MW247.04 g/mol
LogP2.13
Rot. Bonds1

About (3,5-dichloropyrazolo[1,5-a]pyrimidin-7-yl)carbamic acid

(3,5-dichloropyrazolo[1,5-a]pyrimidin-7-yl)carbamic acid (PubChem CID 175823311) has the molecular formula C7H4Cl2N4O2 and a molecular weight of 247.04 g/mol. Its IUPAC name is (3,5-dichloropyrazolo[1,5-a]pyrimidin-7-yl)carbamic acid.

Molecular Properties

Compound Name(3,5-dichloropyrazolo[1,5-a]pyrimidin-7-yl)carbamic acid
PubChem CID175823311
Molecular FormulaC7H4Cl2N4O2
Molecular Weight247.04 g/mol
Exact Mass245.97
IUPAC Name(3,5-dichloropyrazolo[1,5-a]pyrimidin-7-yl)carbamic acid
SMILESO=C(O)Nc1cc(Cl)nc2c(Cl)cnn12
InChIInChI=1S/C7H4Cl2N4O2/c8-3-2-10-13-5(12-7(14)15)1-4(9)11-6(3)13/h1-2,12H,(H,14,15)
InChIKeyPLTHLQXTRLDDPK-UHFFFAOYSA-N
XLogP2.13
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.04
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-dichloropyrazolo[1,5-a]pyrimidin-7-yl)carbamic acid?
The IUPAC name of (3,5-dichloropyrazolo[1,5-a]pyrimidin-7-yl)carbamic acid (CID 175823311) is (3,5-dichloropyrazolo[1,5-a]pyrimidin-7-yl)carbamic acid.
What is the SMILES notation for (3,5-dichloropyrazolo[1,5-a]pyrimidin-7-yl)carbamic acid?
The canonical SMILES for (3,5-dichloropyrazolo[1,5-a]pyrimidin-7-yl)carbamic acid is O=C(O)Nc1cc(Cl)nc2c(Cl)cnn12.
What is the InChIKey of (3,5-dichloropyrazolo[1,5-a]pyrimidin-7-yl)carbamic acid?
The InChIKey is PLTHLQXTRLDDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2N4O2/c8-3-2-10-13-5(12-7(14)15)1-4(9)11-6(3)13/h1-2,12H,(H,14,15).
What are the key properties of (3,5-dichloropyrazolo[1,5-a]pyrimidin-7-yl)carbamic acid?
(3,5-dichloropyrazolo[1,5-a]pyrimidin-7-yl)carbamic acid has a molecular weight of 247.04 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloropyrazolo[1,5-a]pyrimidin-7-yl)carbamic acid is sourced from PubChem (CID 175823311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).