5,7-bis(difluoromethyl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C16H16F4N6O — CID 19415035

IUPAC5,7-bis(difluoromethyl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1nccc1C(C)NC(=O)c1cc2nc(C(F)F)cc(C(F)F)n2n1
InChIInChI=1S/C16H16F4N6O/c1-3-25-11(4-5-21-25)8(2)22-16(27)10-7-13-23-9(14(17)18)6-12(15(19)20)26(13)24-10/h4-8,14-15H,3H2,1-2H3,(H,22,27)
InChIKeyACDNWJBQWVSCLA-UHFFFAOYSA-N
MW384.34 g/mol
LogP3.31
Rot. Bonds6

About 5,7-bis(difluoromethyl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

5,7-bis(difluoromethyl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19415035) has the molecular formula C16H16F4N6O and a molecular weight of 384.34 g/mol. Its IUPAC name is 5,7-bis(difluoromethyl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-bis(difluoromethyl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19415035
Molecular FormulaC16H16F4N6O
Molecular Weight384.34 g/mol
Exact Mass384.13
IUPAC Name5,7-bis(difluoromethyl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1nccc1C(C)NC(=O)c1cc2nc(C(F)F)cc(C(F)F)n2n1
InChIInChI=1S/C16H16F4N6O/c1-3-25-11(4-5-21-25)8(2)22-16(27)10-7-13-23-9(14(17)18)6-12(15(19)20)26(13)24-10/h4-8,14-15H,3H2,1-2H3,(H,22,27)
InChIKeyACDNWJBQWVSCLA-UHFFFAOYSA-N
XLogP3.31
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-aminopropyl)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181592
5-[[(1R,2S)-2-Aminocyclohexyl]amino]-N-[1-methyl-3-(perfluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181632
6-methyl-N-(1-methylpyrrolidin-3-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 166627546
N-allyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2243233
3-phenyl-2-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 70675058
1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-3-carboxamide
CID 156021149
5-cyclopropyl-N-isobutyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 842867
1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide
CID 75202689
US10155765, Example 3
CID 122540794
5,7-dimethyl-N-[(7S,8aS)-2-methyloctahydropyrrolo[1,2-a]pyrazin-7-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 56752808
1-Ethyl-N-{1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-A]pyridin-3-YL]piperidin-4-YL}-1H-pyrazole-3-carboxamide
CID 83273766
N-methyl-7-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118740117

Frequently Asked Questions

What is the IUPAC name of 5,7-bis(difluoromethyl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5,7-bis(difluoromethyl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19415035) is 5,7-bis(difluoromethyl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,7-bis(difluoromethyl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-bis(difluoromethyl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCn1nccc1C(C)NC(=O)c1cc2nc(C(F)F)cc(C(F)F)n2n1.
What is the InChIKey of 5,7-bis(difluoromethyl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is ACDNWJBQWVSCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F4N6O/c1-3-25-11(4-5-21-25)8(2)22-16(27)10-7-13-23-9(14(17)18)6-12(15(19)20)26(13)24-10/h4-8,14-15H,3H2,1-2H3,(H,22,27).
What are the key properties of 5,7-bis(difluoromethyl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5,7-bis(difluoromethyl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 384.34 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(difluoromethyl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19415035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).