N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H14Cl2F2N6O — CID 19447160

IUPACN-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C(F)F)n2ncc(C(=O)Nc3cnn(Cc4ccc(Cl)c(Cl)c4)c3)c2n1
InChIInChI=1S/C19H14Cl2F2N6O/c1-10-4-16(17(22)23)29-18(26-10)13(7-25-29)19(30)27-12-6-24-28(9-12)8-11-2-3-14(20)15(21)5-11/h2-7,9,17H,8H2,1H3,(H,27,30)
InChIKeyVHXBARPAZVOXFN-UHFFFAOYSA-N
MW451.26 g/mol
LogP4.78
Rot. Bonds5

About N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19447160) has the molecular formula C19H14Cl2F2N6O and a molecular weight of 451.26 g/mol. Its IUPAC name is N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19447160
Molecular FormulaC19H14Cl2F2N6O
Molecular Weight451.26 g/mol
Exact Mass450.06
IUPAC NameN-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C(F)F)n2ncc(C(=O)Nc3cnn(Cc4ccc(Cl)c(Cl)c4)c3)c2n1
InChIInChI=1S/C19H14Cl2F2N6O/c1-10-4-16(17(22)23)29-18(26-10)13(7-25-29)19(30)27-12-6-24-28(9-12)8-11-2-3-14(20)15(21)5-11/h2-7,9,17H,8H2,1H3,(H,27,30)
InChIKeyVHXBARPAZVOXFN-UHFFFAOYSA-N
XLogP4.78
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.26
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416334
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416383
N-(3-chloro-2-methylphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416189
N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440746
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449564
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19459991
7-(difluoromethyl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416397
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-7-(difluoromethyl)-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19336144
7-(difluoromethyl)-N-(2,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416294
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19532389
N-(1-butylpyrazol-4-yl)-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17060254
N-(5-chloro-2-hydroxyphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416210

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19447160) is N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C(F)F)n2ncc(C(=O)Nc3cnn(Cc4ccc(Cl)c(Cl)c4)c3)c2n1.
What is the InChIKey of N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VHXBARPAZVOXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2F2N6O/c1-10-4-16(17(22)23)29-18(26-10)13(7-25-29)19(30)27-12-6-24-28(9-12)8-11-2-3-14(20)15(21)5-11/h2-7,9,17H,8H2,1H3,(H,27,30).
What are the key properties of N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 451.26 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19447160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).