(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl) N-(3,5-difluorophenyl)carbamate

C16H11ClF2N4O2 — CID 155104394

IUPAC(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl) N-(3,5-difluorophenyl)carbamate
SMILESO=C(Nc1cc(F)cc(F)c1)Oc1cc(Cl)nc2c(C3CC3)cnn12
InChIInChI=1S/C16H11ClF2N4O2/c17-13-6-14(23-15(22-13)12(7-20-23)8-1-2-8)25-16(24)21-11-4-9(18)3-10(19)5-11/h3-8H,1-2H2,(H,21,24)
InChIKeyFNJZZAPDBHISIS-UHFFFAOYSA-N
MW364.74 g/mol
LogP4.15
Rot. Bonds3

About (5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl) N-(3,5-difluorophenyl)carbamate

(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl) N-(3,5-difluorophenyl)carbamate (PubChem CID 155104394) has the molecular formula C16H11ClF2N4O2 and a molecular weight of 364.74 g/mol. Its IUPAC name is (5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl) N-(3,5-difluorophenyl)carbamate.

Molecular Properties

Compound Name(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl) N-(3,5-difluorophenyl)carbamate
PubChem CID155104394
Molecular FormulaC16H11ClF2N4O2
Molecular Weight364.74 g/mol
Exact Mass364.05
IUPAC Name(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl) N-(3,5-difluorophenyl)carbamate
SMILESO=C(Nc1cc(F)cc(F)c1)Oc1cc(Cl)nc2c(C3CC3)cnn12
InChIInChI=1S/C16H11ClF2N4O2/c17-13-6-14(23-15(22-13)12(7-20-23)8-1-2-8)25-16(24)21-11-4-9(18)3-10(19)5-11/h3-8H,1-2H2,(H,21,24)
InChIKeyFNJZZAPDBHISIS-UHFFFAOYSA-N
XLogP4.15
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.74
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl) N-(3,5-difluorophenyl)carbamate?
The IUPAC name of (5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl) N-(3,5-difluorophenyl)carbamate (CID 155104394) is (5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl) N-(3,5-difluorophenyl)carbamate.
What is the SMILES notation for (5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl) N-(3,5-difluorophenyl)carbamate?
The canonical SMILES for (5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl) N-(3,5-difluorophenyl)carbamate is O=C(Nc1cc(F)cc(F)c1)Oc1cc(Cl)nc2c(C3CC3)cnn12.
What is the InChIKey of (5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl) N-(3,5-difluorophenyl)carbamate?
The InChIKey is FNJZZAPDBHISIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2N4O2/c17-13-6-14(23-15(22-13)12(7-20-23)8-1-2-8)25-16(24)21-11-4-9(18)3-10(19)5-11/h3-8H,1-2H2,(H,21,24).
What are the key properties of (5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl) N-(3,5-difluorophenyl)carbamate?
(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl) N-(3,5-difluorophenyl)carbamate has a molecular weight of 364.74 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl) N-(3,5-difluorophenyl)carbamate is sourced from PubChem (CID 155104394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).