7-[chloro(difluoro)methyl]-N-[3-(4-chloropyrazol-1-yl)propyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C15H14Cl2F2N6O — CID 19458153

IUPAC7-[chloro(difluoro)methyl]-N-[3-(4-chloropyrazol-1-yl)propyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)Cl)n2nc(C(=O)NCCCn3cc(Cl)cn3)cc2n1
InChIInChI=1S/C15H14Cl2F2N6O/c1-9-5-12(15(17,18)19)25-13(22-9)6-11(23-25)14(26)20-3-2-4-24-8-10(16)7-21-24/h5-8H,2-4H2,1H3,(H,20,26)
InChIKeyFCVXDKBSSFKFDT-UHFFFAOYSA-N
MW403.22 g/mol
LogP3.00
Rot. Bonds6

About 7-[chloro(difluoro)methyl]-N-[3-(4-chloropyrazol-1-yl)propyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide

7-[chloro(difluoro)methyl]-N-[3-(4-chloropyrazol-1-yl)propyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19458153) has the molecular formula C15H14Cl2F2N6O and a molecular weight of 403.22 g/mol. Its IUPAC name is 7-[chloro(difluoro)methyl]-N-[3-(4-chloropyrazol-1-yl)propyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-[chloro(difluoro)methyl]-N-[3-(4-chloropyrazol-1-yl)propyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19458153
Molecular FormulaC15H14Cl2F2N6O
Molecular Weight403.22 g/mol
Exact Mass402.06
IUPAC Name7-[chloro(difluoro)methyl]-N-[3-(4-chloropyrazol-1-yl)propyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)Cl)n2nc(C(=O)NCCCn3cc(Cl)cn3)cc2n1
InChIInChI=1S/C15H14Cl2F2N6O/c1-9-5-12(15(17,18)19)25-13(22-9)6-11(23-25)14(26)20-3-2-4-24-8-10(16)7-21-24/h5-8H,2-4H2,1H3,(H,20,26)
InChIKeyFCVXDKBSSFKFDT-UHFFFAOYSA-N
XLogP3.00
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.22
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-butyl-7-[chloro(difluoro)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19459795
5-methyl-N-(3-pyrazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449552
7-[chloro(difluoro)methyl]-N-cyclopropyl-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19457963
7-[chloro(difluoro)methyl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19459806
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449275
N-[3-(4-chloropyrazol-1-yl)propyl]-1-methylimidazole-4-carboxamide
CID 118781993
7-[chloro(difluoro)methyl]-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19441060
N-[3-(4-methylpyrazol-1-yl)propyl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19328218
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455773
7-[chloro(difluoro)methyl]-N-(4-chloro-2-nitrophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19457988
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449564
7-[chloro(difluoro)methyl]-5-methyl-N-(4-methyl-3,5-dinitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19458118

Frequently Asked Questions

What is the IUPAC name of 7-[chloro(difluoro)methyl]-N-[3-(4-chloropyrazol-1-yl)propyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-[chloro(difluoro)methyl]-N-[3-(4-chloropyrazol-1-yl)propyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19458153) is 7-[chloro(difluoro)methyl]-N-[3-(4-chloropyrazol-1-yl)propyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-[chloro(difluoro)methyl]-N-[3-(4-chloropyrazol-1-yl)propyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-[chloro(difluoro)methyl]-N-[3-(4-chloropyrazol-1-yl)propyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C(F)(F)Cl)n2nc(C(=O)NCCCn3cc(Cl)cn3)cc2n1.
What is the InChIKey of 7-[chloro(difluoro)methyl]-N-[3-(4-chloropyrazol-1-yl)propyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is FCVXDKBSSFKFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2F2N6O/c1-9-5-12(15(17,18)19)25-13(22-9)6-11(23-25)14(26)20-3-2-4-24-8-10(16)7-21-24/h5-8H,2-4H2,1H3,(H,20,26).
What are the key properties of 7-[chloro(difluoro)methyl]-N-[3-(4-chloropyrazol-1-yl)propyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
7-[chloro(difluoro)methyl]-N-[3-(4-chloropyrazol-1-yl)propyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 403.22 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[chloro(difluoro)methyl]-N-[3-(4-chloropyrazol-1-yl)propyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19458153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).