N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C19H12ClF5N6O — CID 19401146

IUPACN-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1nn(Cc2cccc(F)c2)cc1Cl)c1cc2nc(C(F)F)cc(C(F)F)n2n1
InChIInChI=1S/C19H12ClF5N6O/c20-11-8-30(7-9-2-1-3-10(21)4-9)29-18(11)27-19(32)13-6-15-26-12(16(22)23)5-14(17(24)25)31(15)28-13/h1-6,8,16-17H,7H2,(H,27,29,32)
InChIKeyLYUVCSMWZFVBGR-UHFFFAOYSA-N
MW470.79 g/mol
LogP4.89
Rot. Bonds6

About N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19401146) has the molecular formula C19H12ClF5N6O and a molecular weight of 470.79 g/mol. Its IUPAC name is N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19401146
Molecular FormulaC19H12ClF5N6O
Molecular Weight470.79 g/mol
Exact Mass470.07
IUPAC NameN-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1nn(Cc2cccc(F)c2)cc1Cl)c1cc2nc(C(F)F)cc(C(F)F)n2n1
InChIInChI=1S/C19H12ClF5N6O/c20-11-8-30(7-9-2-1-3-10(21)4-9)29-18(11)27-19(32)13-6-15-26-12(16(22)23)5-14(17(24)25)31(15)28-13/h1-6,8,16-17H,7H2,(H,27,29,32)
InChIKeyLYUVCSMWZFVBGR-UHFFFAOYSA-N
XLogP4.89
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.79
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5,7-bis(difluoromethyl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19404889
2-chloro-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19401062
4-chloro-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 19475917
5,7-bis(difluoromethyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449195
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide
CID 19402743
N-(3-chloro-4-fluorophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 998467
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264643
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-fluorobenzamide
CID 19409129
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508873
1-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-phenylthiourea
CID 19401206
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-ethyl-4-nitropyrazole-3-carboxamide
CID 19263126
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-2-(4-chloropyrazol-1-yl)acetamide
CID 19524977

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19401146) is N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(Nc1nn(Cc2cccc(F)c2)cc1Cl)c1cc2nc(C(F)F)cc(C(F)F)n2n1.
What is the InChIKey of N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is LYUVCSMWZFVBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF5N6O/c20-11-8-30(7-9-2-1-3-10(21)4-9)29-18(11)27-19(32)13-6-15-26-12(16(22)23)5-14(17(24)25)31(15)28-13/h1-6,8,16-17H,7H2,(H,27,29,32).
What are the key properties of N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 470.79 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19401146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).