N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1-pyrazin-2-ylethyl)pyrazole-4-carboxamide

C15H17F2N5O — CID 25054951

IUPACN-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1-pyrazin-2-ylethyl)pyrazole-4-carboxamide
SMILESCC(c1cnccn1)N(C(=O)c1cn(C)nc1C(F)F)C1CC1
InChIInChI=1S/C15H17F2N5O/c1-9(12-7-18-5-6-19-12)22(10-3-4-10)15(23)11-8-21(2)20-13(11)14(16)17/h5-10,14H,3-4H2,1-2H3
InChIKeyFLOLKXPSBMQBCV-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.51
Rot. Bonds5

About N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1-pyrazin-2-ylethyl)pyrazole-4-carboxamide

N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1-pyrazin-2-ylethyl)pyrazole-4-carboxamide (PubChem CID 25054951) has the molecular formula C15H17F2N5O and a molecular weight of 321.33 g/mol. Its IUPAC name is N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1-pyrazin-2-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1-pyrazin-2-ylethyl)pyrazole-4-carboxamide
PubChem CID25054951
Molecular FormulaC15H17F2N5O
Molecular Weight321.33 g/mol
Exact Mass321.14
IUPAC NameN-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1-pyrazin-2-ylethyl)pyrazole-4-carboxamide
SMILESCC(c1cnccn1)N(C(=O)c1cn(C)nc1C(F)F)C1CC1
InChIInChI=1S/C15H17F2N5O/c1-9(12-7-18-5-6-19-12)22(10-3-4-10)15(23)11-8-21(2)20-13(11)14(16)17/h5-10,14H,3-4H2,1-2H3
InChIKeyFLOLKXPSBMQBCV-UHFFFAOYSA-N
XLogP2.51
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1-pyrazin-2-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1-pyrazin-2-ylethyl)pyrazole-4-carboxamide (CID 25054951) is N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1-pyrazin-2-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1-pyrazin-2-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1-pyrazin-2-ylethyl)pyrazole-4-carboxamide is CC(c1cnccn1)N(C(=O)c1cn(C)nc1C(F)F)C1CC1.
What is the InChIKey of N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1-pyrazin-2-ylethyl)pyrazole-4-carboxamide?
The InChIKey is FLOLKXPSBMQBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N5O/c1-9(12-7-18-5-6-19-12)22(10-3-4-10)15(23)11-8-21(2)20-13(11)14(16)17/h5-10,14H,3-4H2,1-2H3.
What are the key properties of N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1-pyrazin-2-ylethyl)pyrazole-4-carboxamide?
N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1-pyrazin-2-ylethyl)pyrazole-4-carboxamide has a molecular weight of 321.33 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1-pyrazin-2-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 25054951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).