7-[chloro(difluoro)methyl]-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C15H15ClF2N6O — CID 19441060

IUPAC7-[chloro(difluoro)methyl]-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)Cl)n2nc(C(=O)N(C)Cc3cnn(C)c3)cc2n1
InChIInChI=1S/C15H15ClF2N6O/c1-9-4-12(15(16,17)18)24-13(20-9)5-11(21-24)14(25)22(2)7-10-6-19-23(3)8-10/h4-6,8H,7H2,1-3H3
InChIKeyPIKDUHIBSMPBMD-UHFFFAOYSA-N
MW368.78 g/mol
LogP2.33
Rot. Bonds4

About 7-[chloro(difluoro)methyl]-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

7-[chloro(difluoro)methyl]-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19441060) has the molecular formula C15H15ClF2N6O and a molecular weight of 368.78 g/mol. Its IUPAC name is 7-[chloro(difluoro)methyl]-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-[chloro(difluoro)methyl]-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19441060
Molecular FormulaC15H15ClF2N6O
Molecular Weight368.78 g/mol
Exact Mass368.10
IUPAC Name7-[chloro(difluoro)methyl]-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)Cl)n2nc(C(=O)N(C)Cc3cnn(C)c3)cc2n1
InChIInChI=1S/C15H15ClF2N6O/c1-9-4-12(15(16,17)18)24-13(20-9)5-11(21-24)14(25)22(2)7-10-6-19-23(3)8-10/h4-6,8H,7H2,1-3H3
InChIKeyPIKDUHIBSMPBMD-UHFFFAOYSA-N
XLogP2.33
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.78
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-cyclopropyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440882
N,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440913
N,5-dimethyl-N-(2-pyrazol-1-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 77091738
N-butyl-7-[chloro(difluoro)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19459795
2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 62789282
N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19441024
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19441333
2-(2-aminoethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 66390430
3,5-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 31843005
3,5-diamino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61139345
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
4-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 54905633

Frequently Asked Questions

What is the IUPAC name of 7-[chloro(difluoro)methyl]-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-[chloro(difluoro)methyl]-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19441060) is 7-[chloro(difluoro)methyl]-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-[chloro(difluoro)methyl]-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-[chloro(difluoro)methyl]-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C(F)(F)Cl)n2nc(C(=O)N(C)Cc3cnn(C)c3)cc2n1.
What is the InChIKey of 7-[chloro(difluoro)methyl]-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is PIKDUHIBSMPBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF2N6O/c1-9-4-12(15(16,17)18)24-13(20-9)5-11(21-24)14(25)22(2)7-10-6-19-23(3)8-10/h4-6,8H,7H2,1-3H3.
What are the key properties of 7-[chloro(difluoro)methyl]-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
7-[chloro(difluoro)methyl]-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 368.78 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[chloro(difluoro)methyl]-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19441060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).