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

C15H9ClFN5O2 — CID 155104431

IUPAC(5-chloro-3-cyanopyrazolo[1,5-a]pyrimidin-7-yl) N-[(3-fluorophenyl)methyl]carbamate
SMILESN#Cc1cnn2c(OC(=O)NCc3cccc(F)c3)cc(Cl)nc12
InChIInChI=1S/C15H9ClFN5O2/c16-12-5-13(22-14(21-12)10(6-18)8-20-22)24-15(23)19-7-9-2-1-3-11(17)4-9/h1-5,8H,7H2,(H,19,23)
InChIKeyNHFORJXZLFIZQU-UHFFFAOYSA-N
MW345.72 g/mol
LogP2.68
Rot. Bonds3

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

(5-chloro-3-cyanopyrazolo[1,5-a]pyrimidin-7-yl) N-[(3-fluorophenyl)methyl]carbamate (PubChem CID 155104431) has the molecular formula C15H9ClFN5O2 and a molecular weight of 345.72 g/mol. Its IUPAC name is (5-chloro-3-cyanopyrazolo[1,5-a]pyrimidin-7-yl) N-[(3-fluorophenyl)methyl]carbamate.

Molecular Properties

Compound Name(5-chloro-3-cyanopyrazolo[1,5-a]pyrimidin-7-yl) N-[(3-fluorophenyl)methyl]carbamate
PubChem CID155104431
Molecular FormulaC15H9ClFN5O2
Molecular Weight345.72 g/mol
Exact Mass345.04
IUPAC Name(5-chloro-3-cyanopyrazolo[1,5-a]pyrimidin-7-yl) N-[(3-fluorophenyl)methyl]carbamate
SMILESN#Cc1cnn2c(OC(=O)NCc3cccc(F)c3)cc(Cl)nc12
InChIInChI=1S/C15H9ClFN5O2/c16-12-5-13(22-14(21-12)10(6-18)8-20-22)24-15(23)19-7-9-2-1-3-11(17)4-9/h1-5,8H,7H2,(H,19,23)
InChIKeyNHFORJXZLFIZQU-UHFFFAOYSA-N
XLogP2.68
TPSA92.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.72
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-chloro-3-cyanopyrazolo[1,5-a]pyrimidin-7-yl) N-[(3-chloro-5-fluorophenyl)methyl]carbamate
CID 155104413
5-chloro-7-[(3-chlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 155104401
6-chloro-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide
CID 24903422
5-cyano-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 63718583
1-[2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-3-[(3-fluorophenyl)methyl]urea
CID 21065325
2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 20929906
2-chloro-N-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 91820954
2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide
CID 47161047
N-[2-(4-chloro-2-cyanoanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 133286036
1-cyano-N-[(3-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 80598717
2-cyano-N-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]acetamide
CID 108924377
4-amino-3,5-dichloro-N-[(3-fluorophenyl)methyl]benzamide
CID 82795367

Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-cyanopyrazolo[1,5-a]pyrimidin-7-yl) N-[(3-fluorophenyl)methyl]carbamate?
The IUPAC name of (5-chloro-3-cyanopyrazolo[1,5-a]pyrimidin-7-yl) N-[(3-fluorophenyl)methyl]carbamate (CID 155104431) is (5-chloro-3-cyanopyrazolo[1,5-a]pyrimidin-7-yl) N-[(3-fluorophenyl)methyl]carbamate.
What is the SMILES notation for (5-chloro-3-cyanopyrazolo[1,5-a]pyrimidin-7-yl) N-[(3-fluorophenyl)methyl]carbamate?
The canonical SMILES for (5-chloro-3-cyanopyrazolo[1,5-a]pyrimidin-7-yl) N-[(3-fluorophenyl)methyl]carbamate is N#Cc1cnn2c(OC(=O)NCc3cccc(F)c3)cc(Cl)nc12.
What is the InChIKey of (5-chloro-3-cyanopyrazolo[1,5-a]pyrimidin-7-yl) N-[(3-fluorophenyl)methyl]carbamate?
The InChIKey is NHFORJXZLFIZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFN5O2/c16-12-5-13(22-14(21-12)10(6-18)8-20-22)24-15(23)19-7-9-2-1-3-11(17)4-9/h1-5,8H,7H2,(H,19,23).
What are the key properties of (5-chloro-3-cyanopyrazolo[1,5-a]pyrimidin-7-yl) N-[(3-fluorophenyl)methyl]carbamate?
(5-chloro-3-cyanopyrazolo[1,5-a]pyrimidin-7-yl) N-[(3-fluorophenyl)methyl]carbamate has a molecular weight of 345.72 g/mol, XLogP of 2.68, 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-fluorophenyl)methyl]carbamate is sourced from PubChem (CID 155104431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).