1-[(1R)-1-(3,3-difluorocyclobutyl)ethyl]-3-(1,1-difluoroethyl)-4-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyrazole-5-carboxamide

C19H22F4N4OS — CID 166528400

IUPAC1-[(1R)-1-(3,3-difluorocyclobutyl)ethyl]-3-(1,1-difluoroethyl)-4-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyrazole-5-carboxamide
SMILESCSc1cc(NC(=O)c2c(C)c(C(C)(F)F)nn2[C@H](C)C2CC(F)(F)C2)ccn1
InChIInChI=1S/C19H22F4N4OS/c1-10-15(17(28)25-13-5-6-24-14(7-13)29-4)27(26-16(10)18(3,20)21)11(2)12-8-19(22,23)9-12/h5-7,11-12H,8-9H2,1-4H3,(H,24,25,28)/t11-/m1/s1
InChIKeyNRSJADNPLQHICL-LLVKDONJSA-N
MW430.47 g/mol
LogP5.28
Rot. Bonds6

About 1-[(1R)-1-(3,3-difluorocyclobutyl)ethyl]-3-(1,1-difluoroethyl)-4-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyrazole-5-carboxamide

1-[(1R)-1-(3,3-difluorocyclobutyl)ethyl]-3-(1,1-difluoroethyl)-4-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyrazole-5-carboxamide (PubChem CID 166528400) has the molecular formula C19H22F4N4OS and a molecular weight of 430.47 g/mol. Its IUPAC name is 1-[(1R)-1-(3,3-difluorocyclobutyl)ethyl]-3-(1,1-difluoroethyl)-4-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-[(1R)-1-(3,3-difluorocyclobutyl)ethyl]-3-(1,1-difluoroethyl)-4-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyrazole-5-carboxamide
PubChem CID166528400
Molecular FormulaC19H22F4N4OS
Molecular Weight430.47 g/mol
Exact Mass430.15
IUPAC Name1-[(1R)-1-(3,3-difluorocyclobutyl)ethyl]-3-(1,1-difluoroethyl)-4-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyrazole-5-carboxamide
SMILESCSc1cc(NC(=O)c2c(C)c(C(C)(F)F)nn2[C@H](C)C2CC(F)(F)C2)ccn1
InChIInChI=1S/C19H22F4N4OS/c1-10-15(17(28)25-13-5-6-24-14(7-13)29-4)27(26-16(10)18(3,20)21)11(2)12-8-19(22,23)9-12/h5-7,11-12H,8-9H2,1-4H3,(H,24,25,28)/t11-/m1/s1
InChIKeyNRSJADNPLQHICL-LLVKDONJSA-N
XLogP5.28
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.47
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(1R)-1-(3,3-difluorocyclobutyl)ethyl]-3-(1,1-difluoroethyl)-4-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3,3-difluorocyclobutyl)ethyl]-3-(1,1-difluoroethyl)-4-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyrazole-5-carboxamide?
The IUPAC name of 1-[(1R)-1-(3,3-difluorocyclobutyl)ethyl]-3-(1,1-difluoroethyl)-4-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyrazole-5-carboxamide (CID 166528400) is 1-[(1R)-1-(3,3-difluorocyclobutyl)ethyl]-3-(1,1-difluoroethyl)-4-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-[(1R)-1-(3,3-difluorocyclobutyl)ethyl]-3-(1,1-difluoroethyl)-4-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-[(1R)-1-(3,3-difluorocyclobutyl)ethyl]-3-(1,1-difluoroethyl)-4-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyrazole-5-carboxamide is CSc1cc(NC(=O)c2c(C)c(C(C)(F)F)nn2[C@H](C)C2CC(F)(F)C2)ccn1.
What is the InChIKey of 1-[(1R)-1-(3,3-difluorocyclobutyl)ethyl]-3-(1,1-difluoroethyl)-4-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyrazole-5-carboxamide?
The InChIKey is NRSJADNPLQHICL-LLVKDONJSA-N. The full InChI is InChI=1S/C19H22F4N4OS/c1-10-15(17(28)25-13-5-6-24-14(7-13)29-4)27(26-16(10)18(3,20)21)11(2)12-8-19(22,23)9-12/h5-7,11-12H,8-9H2,1-4H3,(H,24,25,28)/t11-/m1/s1.
What are the key properties of 1-[(1R)-1-(3,3-difluorocyclobutyl)ethyl]-3-(1,1-difluoroethyl)-4-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyrazole-5-carboxamide?
1-[(1R)-1-(3,3-difluorocyclobutyl)ethyl]-3-(1,1-difluoroethyl)-4-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyrazole-5-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3,3-difluorocyclobutyl)ethyl]-3-(1,1-difluoroethyl)-4-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyrazole-5-carboxamide is sourced from PubChem (CID 166528400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).