N-[5-(3,3-difluorocyclobutyl)-2-[2-(dimethylamino)ethyl]-4-methylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide

C17H24F4N4O — CID 169169310

IUPACN-[5-(3,3-difluorocyclobutyl)-2-[2-(dimethylamino)ethyl]-4-methylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide
SMILESCc1c(C2CC(F)(F)C2)nn(CCN(C)C)c1NC(=O)C1CC(F)(F)C1
InChIInChI=1S/C17H24F4N4O/c1-10-13(11-6-16(18,19)7-11)23-25(5-4-24(2)3)14(10)22-15(26)12-8-17(20,21)9-12/h11-12H,4-9H2,1-3H3,(H,22,26)
InChIKeyHOZNYVBYDHKDDX-UHFFFAOYSA-N
MW376.40 g/mol
LogP3.25
Rot. Bonds6

About N-[5-(3,3-difluorocyclobutyl)-2-[2-(dimethylamino)ethyl]-4-methylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide

N-[5-(3,3-difluorocyclobutyl)-2-[2-(dimethylamino)ethyl]-4-methylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide (PubChem CID 169169310) has the molecular formula C17H24F4N4O and a molecular weight of 376.40 g/mol. Its IUPAC name is N-[5-(3,3-difluorocyclobutyl)-2-[2-(dimethylamino)ethyl]-4-methylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[5-(3,3-difluorocyclobutyl)-2-[2-(dimethylamino)ethyl]-4-methylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide
PubChem CID169169310
Molecular FormulaC17H24F4N4O
Molecular Weight376.40 g/mol
Exact Mass376.19
IUPAC NameN-[5-(3,3-difluorocyclobutyl)-2-[2-(dimethylamino)ethyl]-4-methylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide
SMILESCc1c(C2CC(F)(F)C2)nn(CCN(C)C)c1NC(=O)C1CC(F)(F)C1
InChIInChI=1S/C17H24F4N4O/c1-10-13(11-6-16(18,19)7-11)23-25(5-4-24(2)3)14(10)22-15(26)12-8-17(20,21)9-12/h11-12H,4-9H2,1-3H3,(H,22,26)
InChIKeyHOZNYVBYDHKDDX-UHFFFAOYSA-N
XLogP3.25
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-2-cyclohexyl-N-(3,4-diethyl-1-methyl-1H-pyrazol-5-yl)acetamide hydrochloride
CID 132418130
N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-3-(trifluoromethyl)octanamide
CID 169169255
N-[4-cyclobutyl-5-(3,3-dimethoxycyclobutyl)-2-methylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide
CID 169169264
(1R)-N-[1-cyclobutyl-3-(3-fluoro-1,3-dimethylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 169169265
N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide
CID 169169267
3-cyclobutyl-N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide
CID 169169271
N-[1-butan-2-yl-3-(3,3-difluoro-1-methylcyclohexyl)-4-methylpyrazol-5-yl]-2-(1-methylcyclopropyl)acetamide;ethane
CID 169169275
N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide
CID 169169281
N-[5-(3,3-difluorocyclobutyl)-2-(2-hydroxy-2-methylpropyl)-4-methylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide
CID 169169288
(1S)-N-[1-cyclobutyl-3-(3,3-difluoro-1-methylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 169169291
2,2-difluoroethyl N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]carbamate
CID 169169293
N-(4-cyclobutyl-5-cyclohexyl-2-methylpyrazol-3-yl)-2-(3,3-difluorocyclobutyl)acetamide
CID 169169294

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,3-difluorocyclobutyl)-2-[2-(dimethylamino)ethyl]-4-methylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide?
The IUPAC name of N-[5-(3,3-difluorocyclobutyl)-2-[2-(dimethylamino)ethyl]-4-methylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide (CID 169169310) is N-[5-(3,3-difluorocyclobutyl)-2-[2-(dimethylamino)ethyl]-4-methylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide.
What is the SMILES notation for N-[5-(3,3-difluorocyclobutyl)-2-[2-(dimethylamino)ethyl]-4-methylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide?
The canonical SMILES for N-[5-(3,3-difluorocyclobutyl)-2-[2-(dimethylamino)ethyl]-4-methylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide is Cc1c(C2CC(F)(F)C2)nn(CCN(C)C)c1NC(=O)C1CC(F)(F)C1.
What is the InChIKey of N-[5-(3,3-difluorocyclobutyl)-2-[2-(dimethylamino)ethyl]-4-methylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide?
The InChIKey is HOZNYVBYDHKDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F4N4O/c1-10-13(11-6-16(18,19)7-11)23-25(5-4-24(2)3)14(10)22-15(26)12-8-17(20,21)9-12/h11-12H,4-9H2,1-3H3,(H,22,26).
What are the key properties of N-[5-(3,3-difluorocyclobutyl)-2-[2-(dimethylamino)ethyl]-4-methylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide?
N-[5-(3,3-difluorocyclobutyl)-2-[2-(dimethylamino)ethyl]-4-methylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide has a molecular weight of 376.40 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,3-difluorocyclobutyl)-2-[2-(dimethylamino)ethyl]-4-methylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide is sourced from PubChem (CID 169169310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).