N-cyclopropyl-4-[(1-fluorocyclopropyl)methyl]-5-hydroxy-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide

C14H15FN4O3 — CID 171053822

IUPACN-cyclopropyl-4-[(1-fluorocyclopropyl)methyl]-5-hydroxy-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESO=C(NC1CC1)c1c(O)n(CC2(F)CC2)c2ccnn2c1=O
InChIInChI=1S/C14H15FN4O3/c15-14(4-5-14)7-18-9-3-6-16-19(9)13(22)10(12(18)21)11(20)17-8-1-2-8/h3,6,8,21H,1-2,4-5,7H2,(H,17,20)
InChIKeyUDVMHTACHBIZJW-UHFFFAOYSA-N
MW306.30 g/mol
LogP0.60
Rot. Bonds4

About N-cyclopropyl-4-[(1-fluorocyclopropyl)methyl]-5-hydroxy-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide

N-cyclopropyl-4-[(1-fluorocyclopropyl)methyl]-5-hydroxy-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 171053822) has the molecular formula C14H15FN4O3 and a molecular weight of 306.30 g/mol. Its IUPAC name is N-cyclopropyl-4-[(1-fluorocyclopropyl)methyl]-5-hydroxy-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(1-fluorocyclopropyl)methyl]-5-hydroxy-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID171053822
Molecular FormulaC14H15FN4O3
Molecular Weight306.30 g/mol
Exact Mass306.11
IUPAC NameN-cyclopropyl-4-[(1-fluorocyclopropyl)methyl]-5-hydroxy-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESO=C(NC1CC1)c1c(O)n(CC2(F)CC2)c2ccnn2c1=O
InChIInChI=1S/C14H15FN4O3/c15-14(4-5-14)7-18-9-3-6-16-19(9)13(22)10(12(18)21)11(20)17-8-1-2-8/h3,6,8,21H,1-2,4-5,7H2,(H,17,20)
InChIKeyUDVMHTACHBIZJW-UHFFFAOYSA-N
XLogP0.60
TPSA88.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(1-fluorocyclopropyl)methyl]-5-hydroxy-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclopropyl-4-[(1-fluorocyclopropyl)methyl]-5-hydroxy-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 171053822) is N-cyclopropyl-4-[(1-fluorocyclopropyl)methyl]-5-hydroxy-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-[(1-fluorocyclopropyl)methyl]-5-hydroxy-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclopropyl-4-[(1-fluorocyclopropyl)methyl]-5-hydroxy-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide is O=C(NC1CC1)c1c(O)n(CC2(F)CC2)c2ccnn2c1=O.
What is the InChIKey of N-cyclopropyl-4-[(1-fluorocyclopropyl)methyl]-5-hydroxy-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is UDVMHTACHBIZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O3/c15-14(4-5-14)7-18-9-3-6-16-19(9)13(22)10(12(18)21)11(20)17-8-1-2-8/h3,6,8,21H,1-2,4-5,7H2,(H,17,20).
What are the key properties of N-cyclopropyl-4-[(1-fluorocyclopropyl)methyl]-5-hydroxy-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-cyclopropyl-4-[(1-fluorocyclopropyl)methyl]-5-hydroxy-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 306.30 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(1-fluorocyclopropyl)methyl]-5-hydroxy-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 171053822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).