N-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-(2-fluoroethyl)pyrazole-4-carboxamide

C13H16FN5O — CID 139003944

IUPACN-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-(2-fluoroethyl)pyrazole-4-carboxamide
SMILESCn1nc(NC(=O)c2cnn(CCF)c2)cc1C1CC1
InChIInChI=1S/C13H16FN5O/c1-18-11(9-2-3-9)6-12(17-18)16-13(20)10-7-15-19(8-10)5-4-14/h6-9H,2-5H2,1H3,(H,16,17,20)
InChIKeyJPAVFXWECMNJHK-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.72
Rot. Bonds5

About N-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-(2-fluoroethyl)pyrazole-4-carboxamide

N-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-(2-fluoroethyl)pyrazole-4-carboxamide (PubChem CID 139003944) has the molecular formula C13H16FN5O and a molecular weight of 277.30 g/mol. Its IUPAC name is N-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-(2-fluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-(2-fluoroethyl)pyrazole-4-carboxamide
PubChem CID139003944
Molecular FormulaC13H16FN5O
Molecular Weight277.30 g/mol
Exact Mass277.13
IUPAC NameN-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-(2-fluoroethyl)pyrazole-4-carboxamide
SMILESCn1nc(NC(=O)c2cnn(CCF)c2)cc1C1CC1
InChIInChI=1S/C13H16FN5O/c1-18-11(9-2-3-9)6-12(17-18)16-13(20)10-7-15-19(8-10)5-4-14/h6-9H,2-5H2,1H3,(H,16,17,20)
InChIKeyJPAVFXWECMNJHK-UHFFFAOYSA-N
XLogP1.72
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-(2-fluoroethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-(2-fluoroethyl)pyrazole-4-carboxamide (CID 139003944) is N-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-(2-fluoroethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-(2-fluoroethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-(2-fluoroethyl)pyrazole-4-carboxamide is Cn1nc(NC(=O)c2cnn(CCF)c2)cc1C1CC1.
What is the InChIKey of N-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-(2-fluoroethyl)pyrazole-4-carboxamide?
The InChIKey is JPAVFXWECMNJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5O/c1-18-11(9-2-3-9)6-12(17-18)16-13(20)10-7-15-19(8-10)5-4-14/h6-9H,2-5H2,1H3,(H,16,17,20).
What are the key properties of N-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-(2-fluoroethyl)pyrazole-4-carboxamide?
N-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-(2-fluoroethyl)pyrazole-4-carboxamide has a molecular weight of 277.30 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-(2-fluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 139003944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).