2-cyclopropyl-N-(5-fluoropyrimidin-2-yl)-N,5-dimethylpyrazole-3-carboxamide

C13H14FN5O — CID 166310810

IUPAC2-cyclopropyl-N-(5-fluoropyrimidin-2-yl)-N,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)c2ncc(F)cn2)n(C2CC2)n1
InChIInChI=1S/C13H14FN5O/c1-8-5-11(19(17-8)10-3-4-10)12(20)18(2)13-15-6-9(14)7-16-13/h5-7,10H,3-4H2,1-2H3
InChIKeyUXNTYTSOLUHOSI-UHFFFAOYSA-N
MW275.29 g/mol
LogP1.73
Rot. Bonds3

About 2-cyclopropyl-N-(5-fluoropyrimidin-2-yl)-N,5-dimethylpyrazole-3-carboxamide

2-cyclopropyl-N-(5-fluoropyrimidin-2-yl)-N,5-dimethylpyrazole-3-carboxamide (PubChem CID 166310810) has the molecular formula C13H14FN5O and a molecular weight of 275.29 g/mol. Its IUPAC name is 2-cyclopropyl-N-(5-fluoropyrimidin-2-yl)-N,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(5-fluoropyrimidin-2-yl)-N,5-dimethylpyrazole-3-carboxamide
PubChem CID166310810
Molecular FormulaC13H14FN5O
Molecular Weight275.29 g/mol
Exact Mass275.12
IUPAC Name2-cyclopropyl-N-(5-fluoropyrimidin-2-yl)-N,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)c2ncc(F)cn2)n(C2CC2)n1
InChIInChI=1S/C13H14FN5O/c1-8-5-11(19(17-8)10-3-4-10)12(20)18(2)13-15-6-9(14)7-16-13/h5-7,10H,3-4H2,1-2H3
InChIKeyUXNTYTSOLUHOSI-UHFFFAOYSA-N
XLogP1.73
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(5-fluoropyrimidin-2-yl)-N,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(5-fluoropyrimidin-2-yl)-N,5-dimethylpyrazole-3-carboxamide (CID 166310810) is 2-cyclopropyl-N-(5-fluoropyrimidin-2-yl)-N,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(5-fluoropyrimidin-2-yl)-N,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(5-fluoropyrimidin-2-yl)-N,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)N(C)c2ncc(F)cn2)n(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-(5-fluoropyrimidin-2-yl)-N,5-dimethylpyrazole-3-carboxamide?
The InChIKey is UXNTYTSOLUHOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5O/c1-8-5-11(19(17-8)10-3-4-10)12(20)18(2)13-15-6-9(14)7-16-13/h5-7,10H,3-4H2,1-2H3.
What are the key properties of 2-cyclopropyl-N-(5-fluoropyrimidin-2-yl)-N,5-dimethylpyrazole-3-carboxamide?
2-cyclopropyl-N-(5-fluoropyrimidin-2-yl)-N,5-dimethylpyrazole-3-carboxamide has a molecular weight of 275.29 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(5-fluoropyrimidin-2-yl)-N,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 166310810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).