(1S)-N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2,2-difluorocyclopropane-1-carboxamide

C15H14F4N4OS — CID 169169311

IUPAC(1S)-N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2,2-difluorocyclopropane-1-carboxamide
SMILESCc1c(C2CC(F)(F)C2)nn(-c2nccs2)c1NC(=O)[C@@H]1CC1(F)F
InChIInChI=1S/C15H14F4N4OS/c1-7-10(8-4-14(16,17)5-8)22-23(13-20-2-3-25-13)11(7)21-12(24)9-6-15(9,18)19/h2-3,8-9H,4-6H2,1H3,(H,21,24)/t9-/m0/s1
InChIKeyRHGDIINVSVUJTI-VIFPVBQESA-N
MW374.36 g/mol
LogP3.74
Rot. Bonds4

About (1S)-N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2,2-difluorocyclopropane-1-carboxamide

(1S)-N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2,2-difluorocyclopropane-1-carboxamide (PubChem CID 169169311) has the molecular formula C15H14F4N4OS and a molecular weight of 374.36 g/mol. Its IUPAC name is (1S)-N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2,2-difluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2,2-difluorocyclopropane-1-carboxamide
PubChem CID169169311
Molecular FormulaC15H14F4N4OS
Molecular Weight374.36 g/mol
Exact Mass374.08
IUPAC Name(1S)-N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2,2-difluorocyclopropane-1-carboxamide
SMILESCc1c(C2CC(F)(F)C2)nn(-c2nccs2)c1NC(=O)[C@@H]1CC1(F)F
InChIInChI=1S/C15H14F4N4OS/c1-7-10(8-4-14(16,17)5-8)22-23(13-20-2-3-25-13)11(7)21-12(24)9-6-15(9,18)19/h2-3,8-9H,4-6H2,1H3,(H,21,24)/t9-/m0/s1
InChIKeyRHGDIINVSVUJTI-VIFPVBQESA-N
XLogP3.74
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2,2-difluorocyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2,2-difluorocyclopropane-1-carboxamide?
The IUPAC name of (1S)-N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2,2-difluorocyclopropane-1-carboxamide (CID 169169311) is (1S)-N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2,2-difluorocyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2,2-difluorocyclopropane-1-carboxamide?
The canonical SMILES for (1S)-N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2,2-difluorocyclopropane-1-carboxamide is Cc1c(C2CC(F)(F)C2)nn(-c2nccs2)c1NC(=O)[C@@H]1CC1(F)F.
What is the InChIKey of (1S)-N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2,2-difluorocyclopropane-1-carboxamide?
The InChIKey is RHGDIINVSVUJTI-VIFPVBQESA-N. The full InChI is InChI=1S/C15H14F4N4OS/c1-7-10(8-4-14(16,17)5-8)22-23(13-20-2-3-25-13)11(7)21-12(24)9-6-15(9,18)19/h2-3,8-9H,4-6H2,1H3,(H,21,24)/t9-/m0/s1.
What are the key properties of (1S)-N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2,2-difluorocyclopropane-1-carboxamide?
(1S)-N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2,2-difluorocyclopropane-1-carboxamide has a molecular weight of 374.36 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2,2-difluorocyclopropane-1-carboxamide is sourced from PubChem (CID 169169311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).