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

C21H14F2N6O2 — CID 135200194

IUPACN-[5-[3-(difluoromethoxy)naphthalen-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1cc2ccccc2cc1OC(F)F)c1cnn2cccnc12
InChIInChI=1S/C21H14F2N6O2/c22-21(23)31-17-9-13-5-2-1-4-12(13)8-14(17)18-16(11-25-28-18)27-20(30)15-10-26-29-7-3-6-24-19(15)29/h1-11,21H,(H,25,28)(H,27,30)
InChIKeyVWYUDOILCXXTFT-UHFFFAOYSA-N
MW420.38 g/mol
LogP4.13
Rot. Bonds5

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

N-[5-[3-(difluoromethoxy)naphthalen-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135200194) has the molecular formula C21H14F2N6O2 and a molecular weight of 420.38 g/mol. Its IUPAC name is N-[5-[3-(difluoromethoxy)naphthalen-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[3-(difluoromethoxy)naphthalen-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID135200194
Molecular FormulaC21H14F2N6O2
Molecular Weight420.38 g/mol
Exact Mass420.11
IUPAC NameN-[5-[3-(difluoromethoxy)naphthalen-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1cc2ccccc2cc1OC(F)F)c1cnn2cccnc12
InChIInChI=1S/C21H14F2N6O2/c22-21(23)31-17-9-13-5-2-1-4-12(13)8-14(17)18-16(11-25-28-18)27-20(30)15-10-26-29-7-3-6-24-19(15)29/h1-11,21H,(H,25,28)(H,27,30)
InChIKeyVWYUDOILCXXTFT-UHFFFAOYSA-N
XLogP4.13
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.38
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[5-[(3S)-6-(difluoromethoxy)-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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N-[5-[2-(difluoromethoxy)-5-[3-[2-(dimethylamino)-2-oxoethyl]-4-methylphenoxy]phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 164729949
N-[5-[2-(difluoromethoxy)-5-[3-[2-(2-hydroxyethylamino)ethyl]phenoxy]phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(difluoromethoxy)naphthalen-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-[3-(difluoromethoxy)naphthalen-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135200194) is N-[5-[3-(difluoromethoxy)naphthalen-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-[3-(difluoromethoxy)naphthalen-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-[3-(difluoromethoxy)naphthalen-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cn[nH]c1-c1cc2ccccc2cc1OC(F)F)c1cnn2cccnc12.
What is the InChIKey of N-[5-[3-(difluoromethoxy)naphthalen-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VWYUDOILCXXTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N6O2/c22-21(23)31-17-9-13-5-2-1-4-12(13)8-14(17)18-16(11-25-28-18)27-20(30)15-10-26-29-7-3-6-24-19(15)29/h1-11,21H,(H,25,28)(H,27,30).
What are the key properties of N-[5-[3-(difluoromethoxy)naphthalen-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-[3-(difluoromethoxy)naphthalen-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 420.38 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(difluoromethoxy)naphthalen-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135200194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).