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

C16H16F2N6O — CID 4769751

IUPAC5-cyclopropyl-7-(difluoromethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(CNC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)cn1
InChIInChI=1S/C16H16F2N6O/c1-23-8-9(6-20-23)5-19-16(25)11-7-21-24-13(14(17)18)4-12(10-2-3-10)22-15(11)24/h4,6-8,10,14H,2-3,5H2,1H3,(H,19,25)
InChIKeyLXUKJRSQEWDTRR-UHFFFAOYSA-N
MW346.34 g/mol
LogP2.21
Rot. Bonds5

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

5-cyclopropyl-7-(difluoromethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4769751) has the molecular formula C16H16F2N6O and a molecular weight of 346.34 g/mol. Its IUPAC name is 5-cyclopropyl-7-(difluoromethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-7-(difluoromethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4769751
Molecular FormulaC16H16F2N6O
Molecular Weight346.34 g/mol
Exact Mass346.14
IUPAC Name5-cyclopropyl-7-(difluoromethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(CNC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)cn1
InChIInChI=1S/C16H16F2N6O/c1-23-8-9(6-20-23)5-19-16(25)11-7-21-24-13(14(17)18)4-12(10-2-3-10)22-15(11)24/h4,6-8,10,14H,2-3,5H2,1H3,(H,19,25)
InChIKeyLXUKJRSQEWDTRR-UHFFFAOYSA-N
XLogP2.21
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-7-(difluoromethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-cyclopropyl-7-(difluoromethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4769751) is 5-cyclopropyl-7-(difluoromethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-7-(difluoromethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-7-(difluoromethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cn1cc(CNC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)cn1.
What is the InChIKey of 5-cyclopropyl-7-(difluoromethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LXUKJRSQEWDTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N6O/c1-23-8-9(6-20-23)5-19-16(25)11-7-21-24-13(14(17)18)4-12(10-2-3-10)22-15(11)24/h4,6-8,10,14H,2-3,5H2,1H3,(H,19,25).
What are the key properties of 5-cyclopropyl-7-(difluoromethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-cyclopropyl-7-(difluoromethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 346.34 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-7-(difluoromethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4769751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).