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

C22H16F2N6O2 — CID 135186894

IUPACN-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc3ccccc3cc2OC(F)F)n1
InChIInChI=1S/C22H16F2N6O2/c1-29-12-17(27-21(31)16-11-26-30-8-4-7-25-20(16)30)19(28-29)15-9-13-5-2-3-6-14(13)10-18(15)32-22(23)24/h2-12,22H,1H3,(H,27,31)
InChIKeyXKHCXATWRJFTEP-UHFFFAOYSA-N
MW434.41 g/mol
LogP4.14
Rot. Bonds5

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

N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135186894) has the molecular formula C22H16F2N6O2 and a molecular weight of 434.41 g/mol. Its IUPAC name is N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID135186894
Molecular FormulaC22H16F2N6O2
Molecular Weight434.41 g/mol
Exact Mass434.13
IUPAC NameN-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc3ccccc3cc2OC(F)F)n1
InChIInChI=1S/C22H16F2N6O2/c1-29-12-17(27-21(31)16-11-26-30-8-4-7-25-20(16)30)19(28-29)15-9-13-5-2-3-6-14(13)10-18(15)32-22(23)24/h2-12,22H,1H3,(H,27,31)
InChIKeyXKHCXATWRJFTEP-UHFFFAOYSA-N
XLogP4.14
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135186894) is N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc3ccccc3cc2OC(F)F)n1.
What is the InChIKey of N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XKHCXATWRJFTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N6O2/c1-29-12-17(27-21(31)16-11-26-30-8-4-7-25-20(16)30)19(28-29)15-9-13-5-2-3-6-14(13)10-18(15)32-22(23)24/h2-12,22H,1H3,(H,27,31).
What are the key properties of N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 434.41 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135186894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).