3-(difluoromethoxy)-N-(1-pyrimidin-2-ylpyrazol-4-yl)naphthalene-2-carboxamide

C19H13F2N5O2 — CID 99697257

IUPAC3-(difluoromethoxy)-N-(1-pyrimidin-2-ylpyrazol-4-yl)naphthalene-2-carboxamide
SMILESO=C(Nc1cnn(-c2ncccn2)c1)c1cc2ccccc2cc1OC(F)F
InChIInChI=1S/C19H13F2N5O2/c20-18(21)28-16-9-13-5-2-1-4-12(13)8-15(16)17(27)25-14-10-24-26(11-14)19-22-6-3-7-23-19/h1-11,18H,(H,25,27)
InChIKeyBCLPMHCUYIWRDM-UHFFFAOYSA-N
MW381.34 g/mol
LogP3.67
Rot. Bonds5

About 3-(difluoromethoxy)-N-(1-pyrimidin-2-ylpyrazol-4-yl)naphthalene-2-carboxamide

3-(difluoromethoxy)-N-(1-pyrimidin-2-ylpyrazol-4-yl)naphthalene-2-carboxamide (PubChem CID 99697257) has the molecular formula C19H13F2N5O2 and a molecular weight of 381.34 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-(1-pyrimidin-2-ylpyrazol-4-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-(1-pyrimidin-2-ylpyrazol-4-yl)naphthalene-2-carboxamide
PubChem CID99697257
Molecular FormulaC19H13F2N5O2
Molecular Weight381.34 g/mol
Exact Mass381.10
IUPAC Name3-(difluoromethoxy)-N-(1-pyrimidin-2-ylpyrazol-4-yl)naphthalene-2-carboxamide
SMILESO=C(Nc1cnn(-c2ncccn2)c1)c1cc2ccccc2cc1OC(F)F
InChIInChI=1S/C19H13F2N5O2/c20-18(21)28-16-9-13-5-2-1-4-12(13)8-15(16)17(27)25-14-10-24-26(11-14)19-22-6-3-7-23-19/h1-11,18H,(H,25,27)
InChIKeyBCLPMHCUYIWRDM-UHFFFAOYSA-N
XLogP3.67
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-(1-pyrimidin-2-ylpyrazol-4-yl)naphthalene-2-carboxamide?
The IUPAC name of 3-(difluoromethoxy)-N-(1-pyrimidin-2-ylpyrazol-4-yl)naphthalene-2-carboxamide (CID 99697257) is 3-(difluoromethoxy)-N-(1-pyrimidin-2-ylpyrazol-4-yl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-(1-pyrimidin-2-ylpyrazol-4-yl)naphthalene-2-carboxamide?
The canonical SMILES for 3-(difluoromethoxy)-N-(1-pyrimidin-2-ylpyrazol-4-yl)naphthalene-2-carboxamide is O=C(Nc1cnn(-c2ncccn2)c1)c1cc2ccccc2cc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-N-(1-pyrimidin-2-ylpyrazol-4-yl)naphthalene-2-carboxamide?
The InChIKey is BCLPMHCUYIWRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N5O2/c20-18(21)28-16-9-13-5-2-1-4-12(13)8-15(16)17(27)25-14-10-24-26(11-14)19-22-6-3-7-23-19/h1-11,18H,(H,25,27).
What are the key properties of 3-(difluoromethoxy)-N-(1-pyrimidin-2-ylpyrazol-4-yl)naphthalene-2-carboxamide?
3-(difluoromethoxy)-N-(1-pyrimidin-2-ylpyrazol-4-yl)naphthalene-2-carboxamide has a molecular weight of 381.34 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-(1-pyrimidin-2-ylpyrazol-4-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 99697257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).