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

C18H20F2N6O — CID 19575804

IUPAC5-cyclopropyl-7-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn(C)cc1CN(C)C(=O)c1cnn2c(C(F)F)cc(C3CC3)nc12
InChIInChI=1S/C18H20F2N6O/c1-10-12(9-25(3)23-10)8-24(2)18(27)13-7-21-26-15(16(19)20)6-14(11-4-5-11)22-17(13)26/h6-7,9,11,16H,4-5,8H2,1-3H3
InChIKeyIXKCCPGQPZTRNH-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.86
Rot. Bonds5

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

5-cyclopropyl-7-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19575804) has the molecular formula C18H20F2N6O and a molecular weight of 374.40 g/mol. Its IUPAC name is 5-cyclopropyl-7-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-7-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19575804
Molecular FormulaC18H20F2N6O
Molecular Weight374.40 g/mol
Exact Mass374.17
IUPAC Name5-cyclopropyl-7-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn(C)cc1CN(C)C(=O)c1cnn2c(C(F)F)cc(C3CC3)nc12
InChIInChI=1S/C18H20F2N6O/c1-10-12(9-25(3)23-10)8-24(2)18(27)13-7-21-26-15(16(19)20)6-14(11-4-5-11)22-17(13)26/h6-7,9,11,16H,4-5,8H2,1-3H3
InChIKeyIXKCCPGQPZTRNH-UHFFFAOYSA-N
XLogP2.86
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-7-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-cyclopropyl-7-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19575804) is 5-cyclopropyl-7-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-7-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-7-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn(C)cc1CN(C)C(=O)c1cnn2c(C(F)F)cc(C3CC3)nc12.
What is the InChIKey of 5-cyclopropyl-7-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IXKCCPGQPZTRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N6O/c1-10-12(9-25(3)23-10)8-24(2)18(27)13-7-21-26-15(16(19)20)6-14(11-4-5-11)22-17(13)26/h6-7,9,11,16H,4-5,8H2,1-3H3.
What are the key properties of 5-cyclopropyl-7-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-cyclopropyl-7-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-7-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19575804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).