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

C17H11ClF2N6O3 — CID 155472433

IUPACN-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1cc(Cl)ccc1OC(F)F)c1c(=O)[nH]n2cccnc12
InChIInChI=1S/C17H11ClF2N6O3/c18-8-2-3-11(29-17(19)20)9(6-8)13-10(7-22-24-13)23-15(27)12-14-21-4-1-5-26(14)25-16(12)28/h1-7,17H,(H,22,24)(H,23,27)(H,25,28)
InChIKeyFORPEUQSEICKFO-UHFFFAOYSA-N
MW420.76 g/mol
LogP2.92
Rot. Bonds5

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

N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 155472433) has the molecular formula C17H11ClF2N6O3 and a molecular weight of 420.76 g/mol. Its IUPAC name is N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID155472433
Molecular FormulaC17H11ClF2N6O3
Molecular Weight420.76 g/mol
Exact Mass420.05
IUPAC NameN-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1cc(Cl)ccc1OC(F)F)c1c(=O)[nH]n2cccnc12
InChIInChI=1S/C17H11ClF2N6O3/c18-8-2-3-11(29-17(19)20)9(6-8)13-10(7-22-24-13)23-15(27)12-14-21-4-1-5-26(14)25-16(12)28/h1-7,17H,(H,22,24)(H,23,27)(H,25,28)
InChIKeyFORPEUQSEICKFO-UHFFFAOYSA-N
XLogP2.92
TPSA117.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.76
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2Z)-N-[1-[1-(3-acetamidopropyl)piperidin-4-yl]-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]-3-amino-3-imino-2-(1H-pyrimidin-2-ylidene)propanamide
CID 137158490
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]formamide
CID 88849903
N-[3-(5-chloro-2-methoxyphenyl)-1-[(E)-3,3,3-trifluoroprop-1-enyl]pyrazol-4-yl]formamide
CID 88849908
2-[4-Amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 118522791
1-[2-[4-Amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]acetyl]piperidin-4-one
CID 118523019
2-[4-Amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 118523132
(2Z)-3-amino-2-[amino(methylamino)methylidene]-N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[1-(2-phenylmethoxyethyl)piperidin-4-yl]pyrazol-4-yl]but-3-enamide
CID 118533462
(2Z)-2-[amino(methylamino)methylidene]-N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]pyrazol-4-yl]but-3-enamide
CID 118533467
(2Z)-3-amino-N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-oxo-2-(4-phenoxypiperidin-1-yl)ethyl]pyrazol-4-yl]-2-(1H-pyrimidin-2-ylidene)but-3-enamide
CID 118533468
(2Z)-2-[amino(methylamino)methylidene]-N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]but-3-enamide
CID 118533469
(2Z)-2-[amino(methylamino)methylidene]-N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-2-oxoethyl]pyrazol-4-yl]but-3-enamide
CID 118533703
(2Z)-2-[amino(methylamino)methylidene]-N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]pyrazol-4-yl]but-3-enamide
CID 118533715

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 155472433) is N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cn[nH]c1-c1cc(Cl)ccc1OC(F)F)c1c(=O)[nH]n2cccnc12.
What is the InChIKey of N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FORPEUQSEICKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2N6O3/c18-8-2-3-11(29-17(19)20)9(6-8)13-10(7-22-24-13)23-15(27)12-14-21-4-1-5-26(14)25-16(12)28/h1-7,17H,(H,22,24)(H,23,27)(H,25,28).
What are the key properties of N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 420.76 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 155472433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).