5-(3,5-difluoroanilino)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H15F2N5O — CID 58063445

IUPAC5-(3,5-difluoroanilino)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)NC(=O)c1cnn2ccc(Nc3cc(F)cc(F)c3)nc12
InChIInChI=1S/C16H15F2N5O/c1-9(2)20-16(24)13-8-19-23-4-3-14(22-15(13)23)21-12-6-10(17)5-11(18)7-12/h3-9H,1-2H3,(H,20,24)(H,21,22)
InChIKeyGXVPNUDPIKLPCN-UHFFFAOYSA-N
MW331.33 g/mol
LogP2.89
Rot. Bonds4

About 5-(3,5-difluoroanilino)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(3,5-difluoroanilino)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 58063445) has the molecular formula C16H15F2N5O and a molecular weight of 331.33 g/mol. Its IUPAC name is 5-(3,5-difluoroanilino)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(3,5-difluoroanilino)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID58063445
Molecular FormulaC16H15F2N5O
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Name5-(3,5-difluoroanilino)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)NC(=O)c1cnn2ccc(Nc3cc(F)cc(F)c3)nc12
InChIInChI=1S/C16H15F2N5O/c1-9(2)20-16(24)13-8-19-23-4-3-14(22-15(13)23)21-12-6-10(17)5-11(18)7-12/h3-9H,1-2H3,(H,20,24)(H,21,22)
InChIKeyGXVPNUDPIKLPCN-UHFFFAOYSA-N
XLogP2.89
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(3,5-difluorophenyl)ethylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063195
5-[1-(3,5-difluorophenyl)ethylamino]-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063223
5-[(2-methylphenyl)sulfonylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063170
5-[(2,6-dimethoxyphenyl)methylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063283
5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67502090
N-cyclohexyl-5-[(3,5-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063267
5-[methyl(pyridin-2-yl)amino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66677801
5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063418
N-(4,4-difluorocyclohexyl)-5-[1-(3,5-difluorophenyl)propylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063469
4-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid
CID 119188230
5-[(3,5-difluorophenyl)methylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063467
5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67500608

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluoroanilino)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(3,5-difluoroanilino)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 58063445) is 5-(3,5-difluoroanilino)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(3,5-difluoroanilino)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(3,5-difluoroanilino)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)NC(=O)c1cnn2ccc(Nc3cc(F)cc(F)c3)nc12.
What is the InChIKey of 5-(3,5-difluoroanilino)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GXVPNUDPIKLPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5O/c1-9(2)20-16(24)13-8-19-23-4-3-14(22-15(13)23)21-12-6-10(17)5-11(18)7-12/h3-9H,1-2H3,(H,20,24)(H,21,22).
What are the key properties of 5-(3,5-difluoroanilino)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(3,5-difluoroanilino)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 331.33 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluoroanilino)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 58063445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).