7-(difluoromethyl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H22F2N6O — CID 19466731

IUPAC7-(difluoromethyl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1cc(C(C)NC(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)c(C)n1
InChIInChI=1S/C22H22F2N6O/c1-4-29-12-17(14(3)28-29)13(2)26-22(31)16-11-25-30-19(20(23)24)10-18(27-21(16)30)15-8-6-5-7-9-15/h5-13,20H,4H2,1-3H3,(H,26,31)
InChIKeyBSTPHSFSGFXUJX-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.35
Rot. Bonds6

About 7-(difluoromethyl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19466731) has the molecular formula C22H22F2N6O and a molecular weight of 424.46 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19466731
Molecular FormulaC22H22F2N6O
Molecular Weight424.46 g/mol
Exact Mass424.18
IUPAC Name7-(difluoromethyl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1cc(C(C)NC(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)c(C)n1
InChIInChI=1S/C22H22F2N6O/c1-4-29-12-17(14(3)28-29)13(2)26-22(31)16-11-25-30-19(20(23)24)10-18(27-21(16)30)15-8-6-5-7-9-15/h5-13,20H,4H2,1-3H3,(H,26,31)
InChIKeyBSTPHSFSGFXUJX-UHFFFAOYSA-N
XLogP4.35
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(difluoromethyl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4071577
7-(difluoromethyl)-5-phenyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 969823
N-(3-carbamoyl-1-ethylpyrazol-4-yl)-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19412628
7-(difluoromethyl)-N-[1-(dipentylamino)propan-2-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447221
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518649
7-(difluoromethyl)-N-(3-methylbutyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3596557
7-(difluoromethyl)-5-phenyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447257
N-benzyl-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3553852
7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl chloride
CID 7020409
5,7-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 92750093
7-(difluoromethyl)-5-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 5074183
7-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995343

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19466731) is 7-(difluoromethyl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCn1cc(C(C)NC(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)c(C)n1.
What is the InChIKey of 7-(difluoromethyl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BSTPHSFSGFXUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N6O/c1-4-29-12-17(14(3)28-29)13(2)26-22(31)16-11-25-30-19(20(23)24)10-18(27-21(16)30)15-8-6-5-7-9-15/h5-13,20H,4H2,1-3H3,(H,26,31).
What are the key properties of 7-(difluoromethyl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19466731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).