N-[3-chloro-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C14H9ClF2N4O2 — CID 19414567

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cnn2cccnc12
InChIInChI=1S/C14H9ClF2N4O2/c15-10-6-8(2-3-11(10)23-14(16)17)20-13(22)9-7-19-21-5-1-4-18-12(9)21/h1-7,14H,(H,20,22)
InChIKeyRZRDACKGERCEGU-UHFFFAOYSA-N
MW338.70 g/mol
LogP3.24
Rot. Bonds4

About N-[3-chloro-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-chloro-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19414567) has the molecular formula C14H9ClF2N4O2 and a molecular weight of 338.70 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19414567
Molecular FormulaC14H9ClF2N4O2
Molecular Weight338.70 g/mol
Exact Mass338.04
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cnn2cccnc12
InChIInChI=1S/C14H9ClF2N4O2/c15-10-6-8(2-3-11(10)23-14(16)17)20-13(22)9-7-19-21-5-1-4-18-12(9)21/h1-7,14H,(H,20,22)
InChIKeyRZRDACKGERCEGU-UHFFFAOYSA-N
XLogP3.24
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.70
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-3-carboxamide
CID 26901535
N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-2-carboxamide
CID 2579010
N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperazin-1-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 160944423
N-[3-[2-(difluoromethoxy)-5-sulfanylphenyl]-1-iodopyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155430727
N-[1-(4-chlorobut-2-enyl)-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 154320747
N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129178158
N-[5-[3-(difluoromethoxy)naphthalen-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135200194
N-(5-chloro-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 755928
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-phenylimidazole-4-carboxamide
CID 29110977
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[[(1S)-1-phenylethyl]amino]ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522724
N-(3-acetylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4151653
N-[5-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129164797

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19414567) is N-[3-chloro-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cnn2cccnc12.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RZRDACKGERCEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N4O2/c15-10-6-8(2-3-11(10)23-14(16)17)20-13(22)9-7-19-21-5-1-4-18-12(9)21/h1-7,14H,(H,20,22).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 338.70 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19414567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).