N-[5-[5-cyano-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H11F2N7O2 — CID 70496955

IUPACN-[5-[5-cyano-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN#Cc1ccc(OC(F)F)c(-c2[nH]ncc2NC(=O)c2cnn3cccnc23)c1
InChIInChI=1S/C18H11F2N7O2/c19-18(20)29-14-3-2-10(7-21)6-11(14)15-13(9-23-26-15)25-17(28)12-8-24-27-5-1-4-22-16(12)27/h1-6,8-9,18H,(H,23,26)(H,25,28)
InChIKeyGZCSSRXCIFQRTR-UHFFFAOYSA-N
MW395.33 g/mol
LogP2.84
Rot. Bonds5

About N-[5-[5-cyano-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[5-[5-cyano-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 70496955) has the molecular formula C18H11F2N7O2 and a molecular weight of 395.33 g/mol. Its IUPAC name is N-[5-[5-cyano-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-cyano-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID70496955
Molecular FormulaC18H11F2N7O2
Molecular Weight395.33 g/mol
Exact Mass395.09
IUPAC NameN-[5-[5-cyano-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN#Cc1ccc(OC(F)F)c(-c2[nH]ncc2NC(=O)c2cnn3cccnc23)c1
InChIInChI=1S/C18H11F2N7O2/c19-18(20)29-14-3-2-10(7-21)6-11(14)15-13(9-23-26-15)25-17(28)12-8-24-27-5-1-4-22-16(12)27/h1-6,8-9,18H,(H,23,26)(H,25,28)
InChIKeyGZCSSRXCIFQRTR-UHFFFAOYSA-N
XLogP2.84
TPSA120.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-(5-Chloro-2-(difluoromethoxy)phenyl)-1-(2-(4-((2-cyanoethyl)(methyl)amino)piperidin-1-yl)-2-oxoethyl)-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522534
N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 49856845
N-{3-[5-chloro-2-(difluoromethoxy)phenyl]-1-methyl-1H-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66847152
N-{5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522410
N-[5-(3-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137797033
US11155557, Example 30
CID 138753291
N-(3-(5-chloro-2-cyclopropoxyphenyl)-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 49857621
N-(3-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66850618
N-[5-(5-chloro-2-ethoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496681
N-[5-[2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70497218
N-[5-[2-(difluoromethoxy)-5-fluorophenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70497481
2-amino-N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118533896

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-cyano-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-[5-cyano-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 70496955) is N-[5-[5-cyano-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-[5-cyano-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-[5-cyano-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is N#Cc1ccc(OC(F)F)c(-c2[nH]ncc2NC(=O)c2cnn3cccnc23)c1.
What is the InChIKey of N-[5-[5-cyano-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GZCSSRXCIFQRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N7O2/c19-18(20)29-14-3-2-10(7-21)6-11(14)15-13(9-23-26-15)25-17(28)12-8-24-27-5-1-4-22-16(12)27/h1-6,8-9,18H,(H,23,26)(H,25,28).
What are the key properties of N-[5-[5-cyano-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-[5-cyano-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 395.33 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-cyano-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 70496955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).