(5-chloro-3-cyanopyrazolo[1,5-a]pyrimidin-7-yl) N-[(3-chloro-5-fluorophenyl)methyl]carbamate

C15H8Cl2FN5O2 — CID 155104413

IUPAC(5-chloro-3-cyanopyrazolo[1,5-a]pyrimidin-7-yl) N-[(3-chloro-5-fluorophenyl)methyl]carbamate
SMILESN#Cc1cnn2c(OC(=O)NCc3cc(F)cc(Cl)c3)cc(Cl)nc12
InChIInChI=1S/C15H8Cl2FN5O2/c16-10-1-8(2-11(18)3-10)6-20-15(24)25-13-4-12(17)22-14-9(5-19)7-21-23(13)14/h1-4,7H,6H2,(H,20,24)
InChIKeyJAROHEQJMIABHH-UHFFFAOYSA-N
MW380.17 g/mol
LogP3.34
Rot. Bonds3

About (5-chloro-3-cyanopyrazolo[1,5-a]pyrimidin-7-yl) N-[(3-chloro-5-fluorophenyl)methyl]carbamate

(5-chloro-3-cyanopyrazolo[1,5-a]pyrimidin-7-yl) N-[(3-chloro-5-fluorophenyl)methyl]carbamate (PubChem CID 155104413) has the molecular formula C15H8Cl2FN5O2 and a molecular weight of 380.17 g/mol. Its IUPAC name is (5-chloro-3-cyanopyrazolo[1,5-a]pyrimidin-7-yl) N-[(3-chloro-5-fluorophenyl)methyl]carbamate.

Molecular Properties

Compound Name(5-chloro-3-cyanopyrazolo[1,5-a]pyrimidin-7-yl) N-[(3-chloro-5-fluorophenyl)methyl]carbamate
PubChem CID155104413
Molecular FormulaC15H8Cl2FN5O2
Molecular Weight380.17 g/mol
Exact Mass379.00
IUPAC Name(5-chloro-3-cyanopyrazolo[1,5-a]pyrimidin-7-yl) N-[(3-chloro-5-fluorophenyl)methyl]carbamate
SMILESN#Cc1cnn2c(OC(=O)NCc3cc(F)cc(Cl)c3)cc(Cl)nc12
InChIInChI=1S/C15H8Cl2FN5O2/c16-10-1-8(2-11(18)3-10)6-20-15(24)25-13-4-12(17)22-14-9(5-19)7-21-23(13)14/h1-4,7H,6H2,(H,20,24)
InChIKeyJAROHEQJMIABHH-UHFFFAOYSA-N
XLogP3.34
TPSA92.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.17
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-cyanopyrazolo[1,5-a]pyrimidin-7-yl) N-[(3-chloro-5-fluorophenyl)methyl]carbamate?
The IUPAC name of (5-chloro-3-cyanopyrazolo[1,5-a]pyrimidin-7-yl) N-[(3-chloro-5-fluorophenyl)methyl]carbamate (CID 155104413) is (5-chloro-3-cyanopyrazolo[1,5-a]pyrimidin-7-yl) N-[(3-chloro-5-fluorophenyl)methyl]carbamate.
What is the SMILES notation for (5-chloro-3-cyanopyrazolo[1,5-a]pyrimidin-7-yl) N-[(3-chloro-5-fluorophenyl)methyl]carbamate?
The canonical SMILES for (5-chloro-3-cyanopyrazolo[1,5-a]pyrimidin-7-yl) N-[(3-chloro-5-fluorophenyl)methyl]carbamate is N#Cc1cnn2c(OC(=O)NCc3cc(F)cc(Cl)c3)cc(Cl)nc12.
What is the InChIKey of (5-chloro-3-cyanopyrazolo[1,5-a]pyrimidin-7-yl) N-[(3-chloro-5-fluorophenyl)methyl]carbamate?
The InChIKey is JAROHEQJMIABHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2FN5O2/c16-10-1-8(2-11(18)3-10)6-20-15(24)25-13-4-12(17)22-14-9(5-19)7-21-23(13)14/h1-4,7H,6H2,(H,20,24).
What are the key properties of (5-chloro-3-cyanopyrazolo[1,5-a]pyrimidin-7-yl) N-[(3-chloro-5-fluorophenyl)methyl]carbamate?
(5-chloro-3-cyanopyrazolo[1,5-a]pyrimidin-7-yl) N-[(3-chloro-5-fluorophenyl)methyl]carbamate has a molecular weight of 380.17 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-cyanopyrazolo[1,5-a]pyrimidin-7-yl) N-[(3-chloro-5-fluorophenyl)methyl]carbamate is sourced from PubChem (CID 155104413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).