N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperazin-1-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H19ClF2N8O2 — CID 160944423

IUPACN-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperazin-1-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cnn(N2CCNCC2)c1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12
InChIInChI=1S/C21H19ClF2N8O2/c22-13-2-3-17(34-21(23)24)14(10-13)18-16(12-28-32(18)30-8-5-25-6-9-30)29-20(33)15-11-27-31-7-1-4-26-19(15)31/h1-4,7,10-12,21,25H,5-6,8-9H2,(H,29,33)
InChIKeySUXULHXHRGTAQV-UHFFFAOYSA-N
MW488.89 g/mol
LogP2.64
Rot. Bonds6

About N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperazin-1-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperazin-1-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 160944423) has the molecular formula C21H19ClF2N8O2 and a molecular weight of 488.89 g/mol. Its IUPAC name is N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperazin-1-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperazin-1-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID160944423
Molecular FormulaC21H19ClF2N8O2
Molecular Weight488.89 g/mol
Exact Mass488.13
IUPAC NameN-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperazin-1-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cnn(N2CCNCC2)c1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12
InChIInChI=1S/C21H19ClF2N8O2/c22-13-2-3-17(34-21(23)24)14(10-13)18-16(12-28-32(18)30-8-5-25-6-9-30)29-20(33)15-11-27-31-7-1-4-26-19(15)31/h1-4,7,10-12,21,25H,5-6,8-9H2,(H,29,33)
InChIKeySUXULHXHRGTAQV-UHFFFAOYSA-N
XLogP2.64
TPSA101.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.89
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R,4R)-3-hydroxypiperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522529
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522721
N-[3-chloro-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414567
(3S,4S)-4-[3-[5-chloro-2-(difluoromethoxy)phenyl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]-3-hydroxypiperidine-1-carboxylate
CID 154317308
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-[1-[2-(4-aminopiperidin-1-yl)ethyl]-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522497
(3R,4R)-3-[3-[5-chloro-2-(difluoromethoxy)phenyl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]-4-hydroxypiperidine-1-carboxylic acid
CID 118523148
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(E)-4-morpholin-4-ylbut-2-enyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522409
N-[5-[2-(difluoromethoxy)-5-piperidin-4-ylsulfanylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135378798
N-[2-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-4-[5-chloro-2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118533835
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522419
N-(5-chloro-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 755928

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperazin-1-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperazin-1-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 160944423) is N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperazin-1-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperazin-1-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperazin-1-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cnn(N2CCNCC2)c1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12.
What is the InChIKey of N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperazin-1-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SUXULHXHRGTAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF2N8O2/c22-13-2-3-17(34-21(23)24)14(10-13)18-16(12-28-32(18)30-8-5-25-6-9-30)29-20(33)15-11-27-31-7-1-4-26-19(15)31/h1-4,7,10-12,21,25H,5-6,8-9H2,(H,29,33).
What are the key properties of N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperazin-1-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperazin-1-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 488.89 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperazin-1-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 160944423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).